29440-91-3

4-甲基-Α-乙基-間酪胺(29440-91-3)核磁圖(¹HNMR)

產(chǎn)品名稱:4-甲基-Α-乙基-間酪胺

CAS:29440-91-3

分子式:C11H18ClNO

分子量: 215.72

InChI:InChI=1S/C11H17NO.ClH/c1-3-10(12)6-9-5-4-8(2)11(13)7-9;/h4-5,7,10,13H,3,6,12H2,1-2H3;1H

InChIKey: SOQVPIWPZBXBGG-UHFFFAOYSA-N

Smiles:C1(CC(N)CC)=CC=C(C)C(O)=C1.Cl

¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₇ N O	0.019 g : 0.5 ml DMSO-d₆
5-(2-aminobutyl)-o-cresol hydrochloride

    Assign.     Shift(ppm)

      A             8.77
      B             7.631
      C             7.320
      D             7.215
      E             3.793
      F     *1      3.502
      G     *1      3.269
      J             2.718
      K             2.14
      L             1.539
     
     J(B,D)=7.8HZ.
     J(C,D)=1.4HZ.
     J(E,F)=5.5HZ.
     J(E,G)=8.5HZ.
     J(G,F)=-13.7HZ.

     Hz     ppm     Int.

   3505.49   8.772    171
   3053.83   7.642    158
   3046.02   7.622    173
   2926.03   7.322    222
   2924.68   7.319    241
   2888.06   7.227    130
   2886.60   7.223    126
   2880.37   7.208    120
   2879.03   7.204    118
   1523.19   3.812     45
   1522.71   3.811     46
   1521.24   3.807     40
   1520.75   3.806     41
   1520.02   3.804     42
   1518.19   3.799     48
   1516.60   3.795     61
   1515.50   3.793     58
   1515.01   3.791     60
   1511.96   3.784     41
   1511.35   3.782     42
   1510.38   3.780     41
   1509.40   3.777     46
   1508.54   3.775     51
   1409.55   3.527     62
   1404.05   3.514     60
   1395.87   3.493     79
   1390.38   3.479     69
   1316.65   3.295     82
   1307.98   3.273     83
   1305.05   3.266     32
   1302.86   3.261     70
   1294.56   3.240     63
   1086.30   2.719   1000
    875.00   2.190     30
    874.51   2.189     31
    867.68   2.172     69
    864.99   2.165     36
    862.30   2.158     69
    859.99   2.152     99
    856.69   2.144     45
    854.61   2.139     73
    851.93   2.132    108
    849.00   2.125     35
    848.14   2.123     34
    846.56   2.119     41
    844.73   2.114     84
    837.40   2.096     41
    622.31   1.558    285
    614.99   1.539    611
    607.42   1.520    256

¹H NMR	89.56 MHz
C₁₁ H₁₇ N O	0.034 g : 0.5 ml DMSO-d₆
5-(2-aminobutyl)-o-cresol hydrochloride

    Assign.     Shift(ppm)

      A             9.3
      B             8.2
      C             6.979
      D             6.719
      E             6.580
      F             3.15
      G          3.07 to 2.51
      J             2.084
      K             1.52
      L             0.915
     
     DMSO SIGNAL AT 2.5 PPM REMOVED.

     Hz     ppm     Int.

    629.44   7.029    144
    622.00   6.946    214
    601.13   6.713    260
    593.06   6.622    163
    591.75   6.608    138
    585.63   6.539    109
    584.13   6.523    100
    282.06   3.150     79
    276.50   3.088     77
    271.19   3.029     91
    258.06   2.882    107
    253.06   2.826     83
    252.75   2.823     83
    245.38   2.740    110
    236.56   2.642     79
    186.63   2.084   1000
    143.69   1.605     92
    136.56   1.525    136
    136.19   1.521    136
    130.38   1.456    123
     88.06   0.984    261
     81.19   0.907    498
     73.38   0.820    140

in DMSO-d6