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

*Links on SpectraBase are not permalinks.
8.beta.-cyano-8.alpha.-methoxycarbonyl-9.alpha.-phenylthio-8,9,10,10a-tetrahydroisoquinolino[1,2-a]pyrrole
SpectraBase Compound ID IWpQzxzhRW
InChI InChI=1S/C21H18N2O2S/c1-25-20(24)21(14-22)13-15-9-11-23-10-5-8-18(23)17(15)12-19(21)26-16-6-3-2-4-7-16/h2-11,13,17,19H,12H2,1H3/t17?,19-,21-/m0/s1
InChIKey FDGFAUNYQLKRMS-LMBAYHJBSA-N
Mol Weight 362.45 g/mol
Molecular Formula C21H18N2O2S
Exact Mass 362.108899 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 83q1iOIOhXN
Name 8.beta.-cyano-8.alpha.-methoxycarbonyl-9.alpha.-phenylthio-8,9,10,10a-tetrahydroisoquinolino[1,2-a]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O2S
InChI InChI=1S/C21H18N2O2S/c1-25-20(24)21(14-22)13-15-9-11-23-10-5-8-18(23)17(15)12-19(21)26-16-6-3-2-4-7-16/h2-11,13,17,19H,12H2,1H3/t17?,19-,21-/m0/s1
InChIKey FDGFAUNYQLKRMS-LMBAYHJBSA-N
Molecular Weight 362.447 g/mol
SMILES [C@@]1(C=C2C=C[n]3c(C2C[C@@]1(Sc1ccccc1)[H])ccc3)(C(=O)OC)C#N
SPLASH splash10-0006-0910000000-522f41c6a8db8c243282
Source of Spectrum AJ-61-2523-28
Synonyms Methyl (8R,9S)-8-cyano-9-(phenylsulfanyl)-8,9,10,10a-tetrahydropyrrolo[2,1-a]isoquinoline-8-carboxylate
Wiley ID 1349669