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1,4-Benzothiazepin-5(4H)-one, 1,1-dioxide
SpectraBase Compound ID 4L8YDo6b6U1
InChI InChI=1S/C9H7NO3S/c11-9-7-3-1-2-4-8(7)14(12,13)6-5-10-9/h1-6H,(H,10,11)
InChIKey BREVWSTVRAEVHS-UHFFFAOYSA-N
Mol Weight 209.22 g/mol
Molecular Formula C9H7NO3S
Exact Mass 209.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kfhn2eEDF3w
Name 1,4-Benzothiazepin-5(4H)-one, 1,1-dioxide
CAS Registry Number 55848-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3S
InChI InChI=1S/C9H7NO3S/c11-9-7-3-1-2-4-8(7)14(12,13)6-5-10-9/h1-6H,(H,10,11)
InChIKey BREVWSTVRAEVHS-UHFFFAOYSA-N
Molecular Weight 209.219 g/mol
SMILES N1C(c2c(S(C=C1)(=O)=O)cccc2)=O
SPLASH splash10-0a4i-0590000000-9d54119d900b1899ae8a
Source of Spectrum I-53-281-0
Synonyms 1,1-bis(oxidanylidene)-4H-1,4-benzothiazepin-5-one 1,1-Diketo-4H-1,4-benzothiazepin-5-one 1,1-Dioxo-4H-1,4-benzothiazepin-5-one 1,1-Dioxo-4H-1$l^{6},4-benzothiazepin-5-one 1,1-bis(oxidanylidene)-4H-1$l^{6},4-benzothiazepin-5-one
Wiley ID 1207894