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

*Links on SpectraBase are not permalinks.
beta-oxo-2-thiophenepropionic acid, ethyl ester
SpectraBase Compound ID HNB6XSfoYMN
InChI InChI=1S/C9H10O3S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChIKey VKSDKUXHVLZDHO-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C9H10O3S
Exact Mass 198.035065 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 AkBQSPaayzY
Name beta-OXO-2-THIOPHENEPROPIONIC ACID, ETHYL ESTER
Source of Sample Mallinckrodt Chemical Works, St. Louis, Missouri
Boiling Point 149-152C/6mm
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3S
InChI InChI=1S/C9H10O3S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
InChIKey VKSDKUXHVLZDHO-UHFFFAOYSA-N
Molecular Weight 198.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms 2-THIOPHENEPROPIONIC ACID, B-OXO-, ETHYL ESTER