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

*Links on SpectraBase are not permalinks.
2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-[(phenylthio)methyl]-
SpectraBase Compound ID 7adM3NPvxwm
InChI InChI=1S/C14H12O4S/c1-9(15)13-12(16)7-10(18-14(13)17)8-19-11-5-3-2-4-6-11/h2-7,16H,8H2,1H3
InChIKey YECGOEBUUZTDOO-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C14H12O4S
Exact Mass 276.04563 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 HDA7FMWfHHc
Name 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-[(phenylthio)methyl]-
CAS Registry Number 126759-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O4S
InChI InChI=1S/C14H12O4S/c1-9(15)13-12(16)7-10(18-14(13)17)8-19-11-5-3-2-4-6-11/h2-7,16H,8H2,1H3
InChIKey YECGOEBUUZTDOO-UHFFFAOYSA-N
Molecular Weight 276.306 g/mol
SMILES OC1=C(C(OC(=C1)CSc1ccccc1)=O)C(=O)C
SPLASH splash10-0a4i-2920000000-19f4ffa8e30131f91823
Source of Spectrum Y-26-1211-38
Synonyms 3-Acetyl-4-hydroxy-6-phenylthiomethyl-2-pyrone 3-Acetyl-4-hydroxy-6-[(phenylsulfanyl)methyl]-2H-pyran-2-one 3-Acetyl-4-hydroxy-6-[(phenylthio)methyl]-2-pyranone 3-Acetyl-4-hydroxy-6-(phenylsulfanylmethyl)pyran-2-one 3-Ethanoyl-4-oxidanyl-6-(phenylsulfanylmethyl)pyran-2-one
Wiley ID 1279827