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4,5,5-Trimethyl-3-(phenylthio)-2(5H)-furanone

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4,5,5-Trimethyl-3-(phenylthio)-2(5H)-furanone
SpectraBase Compound ID 3OogwgiLQh
InChI InChI=1S/C13H14O2S/c1-9-11(12(14)15-13(9,2)3)16-10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey GTOVXIZLMGXIAN-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iEst5KJ8S0
Name 4,5,5-Trimethyl-3-(phenylthio)-2(5H)-furanone
CAS Registry Number 77320-65-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-9-11(12(14)15-13(9,2)3)16-10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey GTOVXIZLMGXIAN-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference J. Org. Chem. 46, 2924 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3