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1,4-Benzothiazepin-5(2H)-one, 3,4-dihydro-3,3-dimethyl-, 1-oxide
SpectraBase Compound ID EnCvJG6czUo
InChI InChI=1S/C11H13NO2S/c1-11(2)7-15(14)9-6-4-3-5-8(9)10(13)12-11/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey MJJKAYYOBOUKPQ-UHFFFAOYSA-N
Mol Weight 223.29 g/mol
Molecular Formula C11H13NO2S
Exact Mass 223.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzqyV2MIdNG
Name 1,4-Benzothiazepin-5(2H)-one, 3,4-dihydro-3,3-dimethyl-, 1-oxide
Alternate Name(s) 3,3-Dimethyl-2,3-dihydro-1,4-benzothiazepin-5(4H)-one 1-oxide 3,3-Dimethyl-3,4-dihydro-1,4-benzothiazepin-5(2H)-one 1-oxide
CAS Registry Number 55848-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO2S
InChI InChI=1S/C11H13NO2S/c1-11(2)7-15(14)9-6-4-3-5-8(9)10(13)12-11/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey MJJKAYYOBOUKPQ-UHFFFAOYSA-N
Molecular Weight 223.290 g/mol
SMILES N1C(c2c(S(CC1(C)C)=O)cccc2)=O
SPLASH splash10-106r-0900000000-a6534c0ad44eec17db9c
Source of Spectrum I-53-280-0
Wiley ID 1223826