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2-methyl-1,5-benzothiazepin-4(5H)-one
SpectraBase Compound ID IhJoNqNQvdc
InChI InChI=1S/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)
InChIKey XMCREDZXYDRQBF-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C10H9NOS
Exact Mass 191.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uTgAw7QQa
Name 1,5-Benzothiazepin-4(5H)-one, 2-methyl-
CAS Registry Number 63870-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NOS
InChI InChI=1S/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)
InChIKey XMCREDZXYDRQBF-UHFFFAOYSA-N
Molecular Weight 191.248 g/mol
SMILES N1c2c(SC(=CC1=O)C)cccc2
SPLASH splash10-0005-8900000000-1f92e9517f2dfc53bc7d
Source of Spectrum W6-13956-0-0
Synonyms 2-Methyl-1,5-benzothiazepin-4(5H)-one 2-Methyl-5H-1,5-benzothiazepin-4-one BRN 0143616 EINECS 264-521-7 NSC 117330
Wiley ID 20911