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trans-(R)-2,3,4,5-Tetrahydro-2,5-dimethyl-4-oxo-1,5-benzothiazepin-1-oxide

View entire compound with spectra: 2 MS (GC)

trans-(R)-2,3,4,5-Tetrahydro-2,5-dimethyl-4-oxo-1,5-benzothiazepin-1-oxide
SpectraBase Compound ID EcedEo7pYSz
InChI InChI=1S/C11H13NO2S/c1-8-7-11(13)12(2)9-5-3-4-6-10(9)15(8)14/h3-6,8H,7H2,1-2H3/t8-,15?/m1/s1
InChIKey XWAAHPPMRXFBCP-ARAKYBCZSA-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 73tA3piXHQw
Name trans-(R)-2,3,4,5-Tetrahydro-2,5-dimethyl-4-oxo-1,5-benzothiazepin-1-oxide
Alternate Name(s) cis-(R)-2,3,4,5-Tetrahydro-2,5-dimethyl-4-oxo-1,5-benzothiazepin-1-oxide (2R)-2,5-dimethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1-oxide
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Formula C11H13NO2S
InChI InChI=1S/C11H13NO2S/c1-8-7-11(13)12(2)9-5-3-4-6-10(9)15(8)14/h3-6,8H,7H2,1-2H3/t8-,15?/m1/s1
InChIKey XWAAHPPMRXFBCP-ARAKYBCZSA-N
Molecular Weight 223.290 g/mol
SMILES c12S([C@@](CC(N(c2cccc1)C)=O)(C)[H])=O
SPLASH splash10-000i-3910000000-9793a3183624390669d5
Source of Spectrum SO-0-1173-3
Wiley ID 1543699