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3-(Phenylsulfanylmethyl)-2,5-dihydropyran-6-one
SpectraBase Compound ID vc0lZQLBvh
InChI InChI=1S/C12H12O2S/c13-12-7-6-10(8-14-12)9-15-11-4-2-1-3-5-11/h1-6H,7-9H2
InChIKey NSQYTMABAGYXOV-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 9HKEjZYDbN3
Name 3-(Phenylsulfanylmethyl)-2,5-dihydropyran-6-one
Alternate Name(s) 3-[(phenylthio)methyl]-2,5-dihydropyran-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c13-12-7-6-10(8-14-12)9-15-11-4-2-1-3-5-11/h1-6H,7-9H2
InChIKey NSQYTMABAGYXOV-UHFFFAOYSA-N
Molecular Weight 220.286 g/mol
SMILES C1(=CCC(OC1)=O)CSc1ccccc1
SPLASH splash10-0udi-9300000000-ae0669a96e1f7760db8d
Source of Spectrum F-50-6615-11
Wiley ID 1219637