(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-METHANOL(18881-17-9) IR1

Product Name(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-METHANOL

CAS 18881-17-9

Molecular FormulaC10H13NO

Molecular Weight163.22

InChIInChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1

InChIKey ZSKDXMLMMQFHGW-JTQLQIEISA-N

SmilesC1C2=C(C=CC=C2)C[C@@H](CO)N1

Request For Quotation

Mass

MS-KW-0531          
(S)-1,2,3,4-tetrahydro-3-isoquinolinemethanol
C10H13NO            (Mass of molecular ion:    163)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.0
      28.0       2.3
      39.0       1.9
      50.0       1.0
      51.0       3.0
      52.0       1.2
      63.0       1.4
      64.0       1.0
      64.5       1.2
      65.0       3.4
      65.5       3.9
      66.0       2.4
      77.0       6.4
      78.0       4.0
      79.0       2.0
      89.0       1.0
      91.0       2.3
     102.0       1.3
     103.0       6.7
     104.0      10.8
     105.0       7.3
     115.0       5.6
     116.0       1.7
     117.0       7.0
     118.0       1.1
     130.0      27.9
     131.0       4.8
     132.0     100.0
     133.0      10.7
     144.0       1.9
     162.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₁₃NO	0.039 g : 0.5 ml CDCl₃
(S)-1,2,3,4-tetrahydro-3-isoquinolinemethanol

    Assign.     Shift(ppm)

     A *1        7.12
     B *1        7.10
     C           7.056
     D           6.986
     E           4.00
     F *2        3.724
     G           3.57
     J *2        3.502
     K           3.009
     L *3        2.540
     M *3        2.588
     
     assigned by C-H COSY

     Hz     ppm     Int.

   2856.08   7.145     42
   2853.89   7.139     75
   2848.88   7.127    335
   2847.42   7.123    446
   2843.63   7.113    929
   2840.09   7.105    700
   2838.26   7.100    505
   2833.38   7.088    133
   2830.94   7.082     91
   2828.37   7.075     82
   2824.47   7.065    353
   2820.93   7.057    302
   2817.63   7.048    149
   2815.56   7.043    193
   2796.88   6.996    324
   2791.26   6.982    265
   2788.09   6.975    224
   1617.80   4.047     43
   1600.22   4.003   1000
   1583.99   3.963     51
   1496.71   3.744    289
   1492.92   3.735    308
   1485.60   3.717    373
   1481.94   3.707    364
   1426.64   3.569    700
   1408.45   3.524    383
   1400.88   3.505    412
   1397.47   3.496    317
   1389.90   3.477    328
   1216.44   3.043     81
   1211.92   3.032    114
   1208.26   3.023    135
   1205.69   3.016    162
   1202.15   3.008    164
   1201.05   3.005    164
   1198.13   2.997    155
   1194.46   2.988    123
   1189.95   2.977     85
   1070.20   2.677     89
   1065.56   2.666    110
   1053.72   2.636    331
   1049.08   2.625    296
   1043.22   2.610    273
   1032.48   2.583    225
   1026.98   2.569     85
   1016.24   2.542     80

in CDCl3