23283-97-8

(+)-ISOMENTHOL(23283-97-8) IR1

Product Name(+)-ISOMENTHOL

CAS 23283-97-8

Molecular FormulaC10H20O

Molecular Weight156.27

InChIInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m1/s1

InChIKey NOOLISFMXDJSKH-BBBLOLIVSA-N

Smiles[C@H]1(O)C[C@H](C)CC[C@@H]1C(C)C

Request For Quotation

(+)-ISOMENTHOL(23283-97-8) IR1
Mass

MS-NW-8935          
(+)-isomenthol
C10H20O             (Mass of molecular ion:    156)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       6.4
      28.0       1.4
      29.0       8.6
      31.0       2.2
      39.0       5.7
      40.0       1.2
      41.0      28.9
      42.0       5.1
      43.0      25.6
      44.0       3.0
      45.0       1.9
      53.0       5.1
      54.0       3.1
      55.0      35.0
      56.0      18.1
      57.0      22.0
      58.0       2.6
      59.0       1.6
      65.0       1.0
      67.0      22.1
      68.0      11.3
      69.0      28.5
      70.0      11.2
      71.0     100.0
      72.0       5.7
      73.0       1.2
      77.0       1.5
      79.0       2.8
      80.0       7.0
      81.0      56.3
      82.0      30.1
      83.0      11.7
      84.0       3.1
      85.0       9.2
      86.0       4.3
      93.0       2.7
      94.0       3.7
      95.0      54.6
      96.0      17.4
      97.0       3.7
      99.0       3.9
     109.0       9.2
     110.0       5.6
     111.0       1.5
     112.0       2.0
     113.0       1.6
     123.0      22.3
     124.0       2.2
     138.0      13.0
     139.0       2.5

400 MHz in CDCl3

(+)-ISOMENTHOL(23283-97-8) IR1

¹H NMR	399.65 MHz
C₁₀ H₂₀ O	0.041 g : 0.5 ml CDCl₃
(+)-isomenthol

    Assign.     Shift(ppm)

      A             3.787
      B             1.97
      C             1.601
      D             1.54
      E             1.52
      F             1.49
      G             1.43
      J             1.36
      K             1.30
      L             1.149
      M             0.927
      N             0.863
     
     ASSIGNED BY H-H COSY AND C-H COSY.

     Hz     ppm     Int.

   1523.32   3.812     35
   1519.53   3.803     38
   1515.38   3.792     61
   1511.60   3.783     61
   1507.57   3.773     37
   1503.78   3.763     35
    797.36   1.996     62
    790.65   1.979     93
    784.67   1.964     94
    778.08   1.947     63
    648.93   1.624     30
    647.83   1.621     30
    642.82   1.609     30
    640.75   1.604     46
    639.77   1.601     47
    636.96   1.594     47
    635.99   1.592     50
    634.77   1.589     51
    633.79   1.586     47
    630.74   1.579     47
    629.88   1.577     51
    626.71   1.569     45
    623.66   1.561     31
    619.87   1.552     49
    614.75   1.539     52
    613.28   1.535     53
    609.50   1.526    140
    607.06   1.519    139
    604.98   1.514    106
    601.20   1.505     79
    596.44   1.493     87
    591.67   1.481     45
    588.01   1.472     47
    583.50   1.461     45
    582.28   1.457     33
    578.25   1.447     55
    574.10   1.437     48
    565.67   1.416     50
    562.26   1.407     35
    558.23   1.397     45
    555.91   1.391     36
    550.42   1.378     44
    546.88   1.369     51
    537.84   1.346     47
    533.81   1.336     46
    528.93   1.324     33
    527.83   1.321     31
    525.88   1.316     41
    524.29   1.312     38
    523.44   1.310     44
    520.39   1.303     32
    516.72   1.293     32
    514.65   1.288     31
    513.67   1.286     30
    466.31   1.167     31
    464.72   1.163     35
    462.16   1.157     40
    460.82   1.154     36
    458.01   1.147     46
    454.47   1.138     33
    452.76   1.133     38
    374.39   0.937    904
    367.43   0.920   1000
    348.51   0.873    605
    341.67   0.855    587

in CDCl3