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3-Methyl-2-thioxo-1,3-thiazepan-4-one
SpectraBase Compound ID 3EUdkMqgx9m
InChI InChI=1S/C6H9NOS2/c1-7-5(8)3-2-4-10-6(7)9/h2-4H2,1H3
InChIKey BQTLXGDJEISAJZ-UHFFFAOYSA-N
Mol Weight 175.26 g/mol
Molecular Formula C6H9NOS2
Exact Mass 175.012556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GQMkHJKBIW
Name 3-Methyl-2-thioxo-1,3-thiazepan-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NOS2
InChI InChI=1S/C6H9NOS2/c1-7-5(8)3-2-4-10-6(7)9/h2-4H2,1H3
InChIKey BQTLXGDJEISAJZ-UHFFFAOYSA-N
Molecular Weight 175.264 g/mol
SMILES C1(N(C(CCCS1)=O)C)=S
SPLASH splash10-0fb9-0900000000-35a556bc3a97e89603b4
Source of Spectrum Y-36-1170-6
Synonyms 3-methyl-2-sulfanylidene-1,3-thiazepan-4-one
Wiley ID 762455