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4-(benzenesulfinyl)-3,6-dihydro-2H-oxepin-7-one
SpectraBase Compound ID 7cvYix8Bj9H
InChI InChI=1S/C12H12O3S/c13-12-7-6-11(8-9-15-12)16(14)10-4-2-1-3-5-10/h1-6H,7-9H2
InChIKey BNVWPGHEEAJKAO-UHFFFAOYSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9k67lTkyICh
Name 4-(benzenesulfinyl)-3,6-dihydro-2H-oxepin-7-one
Alternate Name(s) 4-(Phenylsulfinyl)-3,6-dihydro-2H-oxepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c13-12-7-6-11(8-9-15-12)16(14)10-4-2-1-3-5-10/h1-6H,7-9H2
InChIKey BNVWPGHEEAJKAO-UHFFFAOYSA-N
Molecular Weight 236.285 g/mol
SMILES C1(S(=O)c2ccccc2)=CCC(=O)OCC1
SPLASH splash10-066r-1960000000-712b5e2f5f12e3043b4e
Source of Spectrum F-53-16811-9
Wiley ID 804806