1,2,3,4-TETRAHYDROISOQUINOLINE(91-21-4) IR1
Product Name1,2,3,4-TETRAHYDROISOQUINOLINE
CAS91-21-4
Molecular FormulaC9H11N
Molecular Weight133.19
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
InChIKey UWYZHKAOTLEWKK-UHFFFAOYSA-N
SmilesC1C2=C(C=CC=C2)CCN1
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MassMS-NW-3091 1,2,3,4-tetrahydroisoquinoline C9H11N (Mass of molecular ion: 133)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.5 28.0 1.5 38.0 1.1 39.0 4.4 50.0 3.5 51.0 7.9 52.0 3.5 53.0 1.3 58.5 1.8 63.0 2.8 64.0 1.4 64.5 3.1 65.0 5.3 65.5 4.9 66.0 1.8 66.5 2.4 74.0 1.5 75.0 1.8 76.0 2.3 77.0 11.1 78.0 7.2 79.0 3.5 89.0 1.8 90.0 2.1 91.0 7.6 102.0 3.3 103.0 4.5 104.0 8.5 105.0 5.5 106.0 2.3 115.0 3.9 116.0 1.1 117.0 16.5 118.0 23.4 119.0 2.0 128.0 1.9 129.0 8.4 130.0 12.4 131.0 4.5 132.0 100.0 133.0 92.9 134.0 9.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H11 N 0.05 ml : 0.5 ml CDCl3 1,2,3,4-tetrahydroisoquinoline 
Assign. Shift(ppm)
A 7.10 to 7.07 B *1 7.04 C *1 6.95 D 3.935 E 3.060 F 2.733 G 2.21
Hz ppm Int.2843.38 7.115 50 2840.94 7.109 67 2838.99 7.104 62 2836.06 7.097 433 2833.62 7.091 235 2831.05 7.084 477 2829.47 7.080 273 2827.39 7.075 512 2826.54 7.073 546 2823.85 7.066 99 2822.14 7.062 122 2821.41 7.060 120 2819.70 7.056 84 2819.34 7.055 84 2816.04 7.047 283 2812.99 7.039 201 2812.26 7.037 214 2811.77 7.036 213 2809.81 7.031 108 2809.20 7.030 89 2807.37 7.025 127 2807.01 7.024 129 2785.89 6.971 49 2785.03 6.969 50 2782.35 6.962 223 2780.52 6.958 139 2779.30 6.955 116 2777.83 6.951 214 2776.61 6.948 179 2773.93 6.941 157 2773.44 6.940 160 1581.18 3.957 31 1572.63 3.936 948 1229.13 3.076 528 1223.02 3.061 1000 1217.04 3.046 636 1098.39 2.749 313 1092.41 2.734 525 1086.43 2.719 277 882.08 2.208 173
in CDCl3
liquid film
