For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-nitrophenyl)thioxomethyl]-
SpectraBase Compound ID 1kAVWt2VMef
InChI InChI=1S/C16H14N2O2S/c19-18(20)15-7-5-13(6-8-15)16(21)17-10-9-12-3-1-2-4-14(12)11-17/h1-8H,9-11H2
InChIKey OXMWUSHAPHTDGW-UHFFFAOYSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IEngC9Q9Uh3
Name Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-nitrophenyl)thioxomethyl]-
CAS Registry Number 122709-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c19-18(20)15-7-5-13(6-8-15)16(21)17-10-9-12-3-1-2-4-14(12)11-17/h1-8H,9-11H2
InChIKey OXMWUSHAPHTDGW-UHFFFAOYSA-N
Molecular Weight 298.360 g/mol
SMILES C(N1Cc2ccccc2CC1)(c1ccc(N(=O)=O)cc1)=S
SPLASH splash10-00kb-0970000000-a385213a973c2eb4146d
Source of Spectrum F-44-7281-0
Synonyms 1,3.4-trihydro-2-((p-nitrophenyl)(thioxo)methyl)-2H-isoquinoline 2-(4-nitrobenzothioyl)-1,2,3,4-tetrahydroisoquinoline
Wiley ID 1300807