1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE(14099-81-1) 1H NMR
Product Name1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
CAS14099-81-1
Molecular FormulaC9H12ClN
Molecular Weight169.65
InChIInChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChIKey MGFREDWKELGWML-UHFFFAOYSA-N
SmilesC12CCNCC=1C=CC=C2.Cl
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MassMS-IW-8681 1,2,3,4-tetrahydroisoquinoline hydrochloride C9H11N HCl (Mass of molecular ion: 133)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 1.9 27.0 1.4 28.0 2.5 35.0 1.8 36.0 21.6 38.0 7.2 39.0 3.0 42.0 1.3 50.0 2.7 51.0 7.1 52.0 2.4 53.0 1.0 63.0 2.8 64.0 1.2 64.5 6.7 65.0 6.6 65.5 7.4 66.0 2.5 66.5 1.7 74.0 1.4 75.0 1.7 76.0 2.3 77.0 14.1 78.0 15.6 79.0 3.7 89.0 1.9 90.0 2.3 91.0 2.8 101.0 1.2 102.0 5.3 103.0 21.6 104.0 95.8 105.0 21.6 106.0 1.7 115.0 4.9 116.0 1.1 117.0 11.9 118.0 1.9 128.0 2.1 129.0 7.3 130.0 15.7 131.0 5.6 132.0 100.0 133.0 56.4 134.0 5.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H11 N 0.040 g : 0.5 ml DMSO-d6 1,2,3,4-tetrahydroisoquinoline hydrochloride 
Assign. Shift(ppm)
A 9.94 B 7.22 C 4.21 D 3.30 E 3.011
Hz ppm Int.3972.32 9.940 187 2904.66 7.269 34 2901.46 7.261 62 2898.56 7.253 103 2895.36 7.245 205 2893.22 7.240 275 2889.10 7.230 751 2887.27 7.225 1000 2885.13 7.220 596 2883.30 7.215 586 2879.18 7.205 308 2874.60 7.193 139 2873.69 7.191 147 1682.89 4.211 503 1320.34 3.304 307 1315.00 3.291 198 1209.72 3.027 290 1203.46 3.012 507 1197.20 2.996 238
in DMSO-d6
KBr disc
nujol mull
