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

*Links on SpectraBase are not permalinks.
1H,5H-Furo[3,4-e][1,4]thiazepine-3-carboxylic acid, 6,8-dihydro-8-oxo-, methyl ester
SpectraBase Compound ID 2J0nbQwvV9n
InChI InChI=1S/C9H9NO4S/c1-13-8(11)6-2-10-7-5(4-15-6)3-14-9(7)12/h2,10H,3-4H2,1H3
InChIKey BBASGDFISQEZHG-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C9H9NO4S
Exact Mass 227.025229 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 KQ1dCDMND4v
Name 1H,5H-Furo[3,4-e][1,4]thiazepine-3-carboxylic acid, 6,8-dihydro-8-oxo-, methyl ester
CAS Registry Number 64931-16-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4S
InChI InChI=1S/C9H9NO4S/c1-13-8(11)6-2-10-7-5(4-15-6)3-14-9(7)12/h2,10H,3-4H2,1H3
InChIKey BBASGDFISQEZHG-UHFFFAOYSA-N
Molecular Weight 227.234 g/mol
SMILES N1C=C(SCC2=C1C(OC2)=O)C(=O)OC
SPLASH splash10-003r-2930000000-a0fb02c2d59484a7b337
Source of Spectrum H-60-2081-0
Synonyms Methyl 8-oxo-6,8-dihydro-1H,5H-furo[3,4-e][1,4]thiazepine-3-carboxylate Methyl-8-oxo-1,4,5,6-tetrahydrofuro[3,4-e]thiazepine-3-carboxylate
Wiley ID 1228364