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

*Links on SpectraBase are not permalinks.

Ethyl 5-methyl-7-thiabicyclo[4.1.0]heptane-1-carboxylate

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

Ethyl 5-methyl-7-thiabicyclo[4.1.0]heptane-1-carboxylate
SpectraBase Compound ID IPhf2KMN2Ak
InChI InChI=1S/C10H16O2S/c1-3-12-9(11)10-6-4-5-7(2)8(10)13-10/h7-8H,3-6H2,1-2H3
InChIKey ZTPZOZWKLYAVHH-UHFFFAOYSA-N
Mol Weight 200.3 g/mol
Molecular Formula C10H16O2S
Exact Mass 200.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1W9AlmiMh6e
Name Ethyl 5-methyl-7-thiabicyclo[4.1.0]heptane-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.087100927 u
Formula C10H16O2S
InChI InChI=1S/C10H16O2S/c1-3-12-9(11)10-6-4-5-7(2)8(10)13-10/h7-8H,3-6H2,1-2H3
InChIKey ZTPZOZWKLYAVHH-UHFFFAOYSA-N
Molecular Weight 200.296 g/mol
SMILES C12(CCCC(C2S1)C)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894608