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6-Oxabicyclo[3.1.0]hex-3-en-2-one, 1-[[(phenylmethyl)thio]methyl]-
SpectraBase Compound ID KE4xHwTyUXO
InChI InChI=1S/C13H12O2S/c14-11-6-7-12-13(11,15-12)9-16-8-10-4-2-1-3-5-10/h1-7,12H,8-9H2
InChIKey XXXYMTDUFUBADW-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C13H12O2S
Exact Mass 232.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hah49IFXLhT
Name 6-Oxabicyclo[3.1.0]hex-3-en-2-one, 1-[[(phenylmethyl)thio]methyl]-
CAS Registry Number 127588-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2S
InChI InChI=1S/C13H12O2S/c14-11-6-7-12-13(11,15-12)9-16-8-10-4-2-1-3-5-10/h1-7,12H,8-9H2
InChIKey XXXYMTDUFUBADW-UHFFFAOYSA-N
Molecular Weight 232.297 g/mol
SMILES C12(OC2C=CC1=O)CSCc1ccccc1
SPLASH splash10-002f-9500000000-cdf7fd39bb92a99ed8f1
Source of Spectrum F-45-7146-4
Synonyms 1-[(benzylsulfanyl)methyl]-6-oxabicyclo[3.1.0]hex-3-en-2-one 5-Benzylthiomethyl-4,5-epoxycyclopentenone
Wiley ID 1233694