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

*Links on SpectraBase are not permalinks.
1H-[1]Benzothieno[5,6-b]azirine-1-carboxylic acid, octahydro-, ethyl ester, 3,3-dioxide
SpectraBase Compound ID 7xazNCSMe0w
InChI InChI=1S/C11H17NO4S/c1-2-16-11(13)12-8-5-7-3-4-17(14,15)10(7)6-9(8)12/h7-10H,2-6H2,1H3
InChIKey HHUGAXMBWJPHEX-UHFFFAOYSA-N
Mol Weight 259.32 g/mol
Molecular Formula C11H17NO4S
Exact Mass 259.087829 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 JfNwpvViCNu
Name 1H-[1]Benzothieno[5,6-b]azirine-1-carboxylic acid, octahydro-, ethyl ester, 3,3-dioxide
CAS Registry Number 92688-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4S
InChI InChI=1S/C11H17NO4S/c1-2-16-11(13)12-8-5-7-3-4-17(14,15)10(7)6-9(8)12/h7-10H,2-6H2,1H3
InChIKey HHUGAXMBWJPHEX-UHFFFAOYSA-N
Molecular Weight 259.320 g/mol
SMILES C12N(C1CC1CCS(C1C2)(=O)=O)C(=O)OCC
SPLASH splash10-00r6-4900000000-e125d04e936e0006f9b7
Source of Spectrum F-40-2501-0
Synonyms 4-Ethoxycarbonyl-8-thia-4-azatricyclo[5.3.0.0(3,5)]decane 8,8-dioxide Ethyl 8,8-dioxo-8-thia-4-azatricyclo[5.3.0.0(3,5)]decane-4-carboxylate
Wiley ID 1262504