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Ethanone, 1-(4,5,6,7-tetrahydro-3-hydroxy-2-thiepinyl)-
SpectraBase Compound ID GhWbCXx73zz
InChI InChI=1S/C8H12O2S/c1-6(9)8-7(10)4-2-3-5-11-8/h8H,2-5H2,1H3
InChIKey UBDIRWYJYHIQFC-UHFFFAOYSA-N
Mol Weight 172.24 g/mol
Molecular Formula C8H12O2S
Exact Mass 172.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68iqIlAJLLs
Name Ethanone, 1-(4,5,6,7-tetrahydro-3-hydroxy-2-thiepinyl)-
CAS Registry Number 131327-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2S
InChI InChI=1S/C8H12O2S/c1-6(9)8-7(10)4-2-3-5-11-8/h8H,2-5H2,1H3
InChIKey UBDIRWYJYHIQFC-UHFFFAOYSA-N
Molecular Weight 172.242 g/mol
SMILES C1(C(=O)CCCCS1)C(=O)C
SPLASH splash10-0a4l-9000000000-3b4feb829d18fcdb73f8
Source of Spectrum F-46-6511-3
Synonyms Thiepin, ethanone deriv. 2-Acetyl-3-thiepanone 2-Acetylthiepan-3-one
Wiley ID 1168395