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Dimethyl 2,5-dihydro-1,5-benzothiazepin-2,4-diyl)dicarboxylate
SpectraBase Compound ID FPDUHDDzWsv
InChI InChI=1S/C13H13NO4S/c1-17-12(15)9-7-11(13(16)18-2)19-10-6-4-3-5-8(10)14-9/h3-7,11,14H,1-2H3
InChIKey YOBURWGUNZJABY-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rjhdqRUQKG
Name Dimethyl 2,5-dihydro-1,5-benzothiazepin-2,4-diyl)dicarboxylate
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Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-17-12(15)9-7-11(13(16)18-2)19-10-6-4-3-5-8(10)14-9/h3-7,11,14H,1-2H3
InChIKey YOBURWGUNZJABY-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES N1c2c(SC(C=C1C(=O)OC)C(=O)OC)cccc2
SPLASH splash10-00dr-0790000000-4f1d7e616881deec533d
Source of Spectrum Y-34-454-6
Synonyms Dimethyl 2,5-dihydro-1,4-benzothiazepine-2,5-dicarboxylate Dimethyl 2,5-dihydro-1,5-benzothiazepine-2,4-dicarboxylate
Wiley ID 1282793