H-TIC-OH(35186-99-3) IR1
Product NameH-TIC-OH
CAS35186-99-3
Molecular FormulaC10H11NO2
Molecular Weight177.2
InChIInChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H
InChIKey FXHCFPUEIDRTMR-UHFFFAOYSA-N
SmilesC12C=CC=CC=1CNC(C(=O)O)C2.Cl
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MassMS-IW-6668 1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid C10H11NO2 (Mass of molecular ion: 177)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 1.5 18.0 8.2 27.0 1.0 28.0 3.3 39.0 1.8 44.0 4.1 50.0 2.1 51.0 6.4 52.0 2.0 63.0 1.9 64.0 1.0 64.5 5.9 65.0 6.1 65.5 7.7 66.0 3.9 74.0 1.1 75.0 1.8 76.0 2.3 77.0 9.2 78.0 4.9 79.0 2.3 91.0 1.9 101.0 2.1 102.0 6.9 103.0 11.2 104.0 13.4 105.0 7.1 115.0 5.1 116.0 1.9 117.0 6.3 118.0 1.1 128.0 5.7 129.0 20.1 130.0 44.7 131.0 11.6 132.0 100.0 133.0 11.0 158.0 1.6 176.0 4.8 177.0 9.4 178.0 1.3
KBr disc
nujol mull
