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4-Oxo-3-benzyl-1,3-thiazepane-2-thione - s-oxide
SpectraBase Compound ID 3KBsM6nbLxA
InChI InChI=1S/C12H13NO2S2/c14-11-7-4-8-17(15)12(16)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey PYFHINXTDMNYON-UHFFFAOYSA-N
Mol Weight 267.36 g/mol
Molecular Formula C12H13NO2S2
Exact Mass 267.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WenoJeWsF9
Name 4-Oxo-3-benzyl-1,3-thiazepane-2-thione - s-oxide
CAS Registry Number 138696-33-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S2
InChI InChI=1S/C12H13NO2S2/c14-11-7-4-8-17(15)12(16)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey PYFHINXTDMNYON-UHFFFAOYSA-N
Molecular Weight 267.361 g/mol
SMILES C1(S(CCCC(N1Cc1ccccc1)=O)=O)=S
SPLASH splash10-0006-9210000000-2f23b0c1f34d7407dd7b
Source of Spectrum U-1992-342-7
Synonyms 3-Benzyl-2-thioxotetrahydro-1,3-thiazepin-4(5H)-one 1-oxide
Wiley ID 763998