1083-27-8

4-羥基苯甲酸正己酯(1083-27-8)核磁圖(¹HNMR)

產(chǎn)品名稱:4-羥基苯甲酸正己酯

CAS:1083-27-8

分子式:C13H18O3

分子量: 222.28

InChI:InChI=1S/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3

InChIKey: ULULAZKOCFNOIM-UHFFFAOYSA-N

Smiles:C(OCCCCCC)(=O)C1=CC=C(O)C=C1

Mass

MS-NW-0288          
hexyl p-hydroxybenzoate
C13H18O3            (Mass of molecular ion:    222)

   Source Temperature: 170 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.7
      27.0       2.6
      28.0       1.3
      29.0       3.0
      39.0       6.4
      41.0       5.6
      42.0       2.4
      43.0       5.3
      55.0       5.1
      56.0       5.7
      57.0       1.1
      63.0       1.7
      64.0       1.3
      65.0       9.7
      69.0       2.6
      84.0       1.7
      92.0       1.6
      93.0       9.7
      95.0       1.4
     120.0       1.2
     121.0      66.7
     122.0       6.0
     138.0     100.0
     139.0      29.7
     140.0       2.6
     222.0       7.7
     223.0       1.2

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₃ H₁₈ O₃	0.038 g : 0.5 ml DMSO-d₆
hexyl p-hydroxybenzoate

    Assign.     Shift(ppm)

      A            10.
      B             7.82
      C             6.86
      D             4.197
      E             1.68
      F          1.49 to 1.15
      G             0.87

     Hz     ppm     Int.

    707.98   7.906     77
    705.29   7.876    783
    703.21   7.852    285
    698.44   7.799    267
    696.36   7.776   1000
    693.74   7.747    145
    621.70   6.942     98
    619.02   6.912    954
    616.87   6.888    457
    614.79   6.865     99
    612.24   6.837    224
    610.09   6.813    796
    608.01   6.789    219
    382.76   4.274    259
    379.60   4.239     75
    376.58   4.205    684
    370.20   4.134    364
    150.12   1.677    193
    115.48   1.290    738
     83.39   0.932    254
     80.23   0.896    237
     77.81   0.869    828
     71.91   0.803    182
     71.44   0.798    177
     68.35   0.764     80

DMSO-d6