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1,4-Benzothiazepin-5(2H)-one, 3,4-dihydro-3-methyl-, 1-oxide
SpectraBase Compound ID DAuhhc3Zh8R
InChI InChI=1S/C10H11NO2S/c1-7-6-14(13)9-5-3-2-4-8(9)10(12)11-7/h2-5,7H,6H2,1H3,(H,11,12)
InChIKey NXVDOJQCHWAMAG-UHFFFAOYSA-N
Mol Weight 209.26 g/mol
Molecular Formula C10H11NO2S
Exact Mass 209.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GRWUQdHJA1
Name 1,4-Benzothiazepin-5(2H)-one, 3,4-dihydro-3-methyl-, 1-oxide
CAS Registry Number 55848-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO2S
InChI InChI=1S/C10H11NO2S/c1-7-6-14(13)9-5-3-2-4-8(9)10(12)11-7/h2-5,7H,6H2,1H3,(H,11,12)
InChIKey NXVDOJQCHWAMAG-UHFFFAOYSA-N
Molecular Weight 209.263 g/mol
SMILES N1C(c2c(S(CC1C)=O)cccc2)=O
SPLASH splash10-0udr-0900000000-1b69f75a98860f085d0d
Source of Spectrum I-53-281-0
Synonyms 3-Methyl-2,3-dihydro-1,4-benzothiazepin-5(4H)-one 3-Methyl-3,4-dihydro-1,4-benzothiazepin-5(2H)-one 1-oxide
Wiley ID 1207949