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4-(Phenylthio)-3,4-dihydro-2H-oxepin-7-one

View entire compound with spectra: 1 MS (GC)

4-(Phenylthio)-3,4-dihydro-2H-oxepin-7-one
SpectraBase Compound ID FIec3wpLN4I
InChI InChI=1S/C12H12O2S/c13-12-7-6-11(8-9-14-12)15-10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKey VRLLHLHUPPJPDP-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KzM4SxAkLk
Name 4-(Phenylthio)-3,4-dihydro-2H-oxepin-7-one
Alternate Name(s) 4-Phenylsulfanyl-3,4-dihydro-2H-oxepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c13-12-7-6-11(8-9-14-12)15-10-4-2-1-3-5-10/h1-7,11H,8-9H2
InChIKey VRLLHLHUPPJPDP-UHFFFAOYSA-N
Molecular Weight 220.286 g/mol
SMILES C1(C=CC(Sc2ccccc2)CCO1)=O
SPLASH splash10-0ir3-9430000000-f7dad65a2ae96fdba2e7
Source of Spectrum F-53-16810-8
Wiley ID 804808