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

*Links on SpectraBase are not permalinks.

4-tert-Butylthio-2-oxo-3-butynoic acid, tert-butylthio ester

View entire compound with spectra: 1 NMR

4-tert-Butylthio-2-oxo-3-butynoic acid, tert-butylthio ester
SpectraBase Compound ID BtQoQzvDGos
InChI InChI=1S/C12H18O2S2/c1-11(2,3)15-8-7-9(13)10(14)16-12(4,5)6/h1-6H3
InChIKey WXCZMAPRWVFMQU-UHFFFAOYSA-N
Mol Weight 258.39 g/mol
Molecular Formula C12H18O2S2
Exact Mass 258.074822 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 LnIwEnb1eps
Name 4-tert-Butylthio-2-oxo-3-butynoic acid, tert-butylthio ester
CAS Registry Number 85788-88-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2S2
InChI InChI=1S/C12H18O2S2/c1-11(2,3)15-8-7-9(13)10(14)16-12(4,5)6/h1-6H3
InChIKey WXCZMAPRWVFMQU-UHFFFAOYSA-N
Literature Reference G. Seitz, B. Gerecht, Chemiker-Zeitung 107, 105 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD2Cl2