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4-Oxo-3-phenyl-1,3-thiazepane-2-thione - s-oxide
SpectraBase Compound ID JD16uxAB9zZ
InChI InChI=1S/C11H11NO2S2/c13-10-7-4-8-15-11(16-14)12(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey AGMIUZNIUZUMGE-UHFFFAOYSA-N
Mol Weight 253.33 g/mol
Molecular Formula C11H11NO2S2
Exact Mass 253.023121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66DXnO28K3
Name 4-Oxo-3-phenyl-1,3-thiazepane-2-thione - s-oxide
Alternate Name(s) 3-Phenyl-2-thioxotetrahydro-1,3-thiazepin-4(5H)-one 1-oxide
CAS Registry Number 138696-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2S2
InChI InChI=1S/C11H11NO2S2/c13-10-7-4-8-15-11(16-14)12(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey AGMIUZNIUZUMGE-UHFFFAOYSA-N
Molecular Weight 253.334 g/mol
SMILES C1(N(C(CCCS1)=O)c1ccccc1)=S=O
SPLASH splash10-0udi-0900000000-f64aee18acf65b43a5de
Source of Spectrum U-1992-342-7
Wiley ID 763999