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

*Links on SpectraBase are not permalinks.

1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 9 MS (GC)

1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
SpectraBase Compound ID 69VhmEyqISV
InChI InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey DEDOPGXGGQYYMW-UHFFFAOYSA-N
Mol Weight 187.3 g/mol
Molecular Formula C9H17NOS
Exact Mass 187.103085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HZmXBSWWLO
Name S-Ethyl hexahydro-1H-azepine-1-carbothioate
CAS Registry Number 2212-67-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H17NOS
InChI InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey DEDOPGXGGQYYMW-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference C.K. Tseng, D.J. Bowler, Org. Magn. Resonance 17, 131 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3