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2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SpectraBase Compound ID GAMRRKBu486
InChI InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3
InChIKey ABXZGZXVLBYJDK-UHFFFAOYSA-N
Mol Weight 287.38 g/mol
Molecular Formula C16H17NO2S
Exact Mass 287.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1D9wK8V9Ijg
Name Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 20335-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO2S
InChI InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3
InChIKey ABXZGZXVLBYJDK-UHFFFAOYSA-N
Molecular Weight 287.377 g/mol
SMILES C1N(S(=O)(=O)c2ccc(C)cc2)CCc2c1cccc2
SPLASH splash10-001i-0910000000-6132ee14e154488b981b
Source of Spectrum O-2-338-1
Synonyms 2-[(4-Methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline 2-(4-Methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline 2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline 2-Tosyl-3,4-dihydro-1H-isoquinoline
Wiley ID 1290782