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2H-1,3-benzothiazine-2,4(3H)-dione
SpectraBase Compound ID BjrxHRMtd6F
InChI InChI=1S/C8H5NO2S/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey IZQGCATXOBZJQL-UHFFFAOYSA-N
Mol Weight 179.19 g/mol
Molecular Formula C8H5NO2S
Exact Mass 179.0041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7qzsSqrArP
Name 1,3-benzothiazine-2,4-dione
Alternate Name(s) 1,3-benzothiazine-2,4-quinone 2H-1,3-Benzothiazine-2,4(3H)-dione
CAS Registry Number 10512-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2S
InChI InChI=1S/C8H5NO2S/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey IZQGCATXOBZJQL-UHFFFAOYSA-N
Molecular Weight 179.193 g/mol
SMILES N1C(Sc2ccccc2C1=O)=O
SPLASH splash10-000i-3900000000-90bdaeb466e8d6eff42f
Source of Spectrum HC-17-461-0
Wiley ID 1175035