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5-Acetylthio-6,7-dihydro-2(5H)-oxepinone
SpectraBase Compound ID G6CMWWw2QKh
InChI InChI=1S/C8H10O3S/c1-6(9)12-7-2-3-8(10)11-5-4-7/h2-3,7H,4-5H2,1H3
InChIKey KKVLLSTYLJBNND-UHFFFAOYSA-N
Mol Weight 186.22 g/mol
Molecular Formula C8H10O3S
Exact Mass 186.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4akO5uWi3k
Name 5-Acetylthio-6,7-dihydro-2(5H)-oxepinone
Alternate Name(s) S-(7-oxo-2,3,4,7-tetrahydro-4-oxepinyl) ethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O3S
InChI InChI=1S/C8H10O3S/c1-6(9)12-7-2-3-8(10)11-5-4-7/h2-3,7H,4-5H2,1H3
InChIKey KKVLLSTYLJBNND-UHFFFAOYSA-N
Molecular Weight 186.225 g/mol
SMILES C1(C=CC(SC(=O)C)CCO1)=O
SPLASH splash10-0006-4900000000-a294a4c5f4c991057357
Source of Spectrum H1-40-394-11
Wiley ID 756887