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2,4-Bis(ethoxycarbonyl)-1,5-benzothiazepine
SpectraBase Compound ID IBTkG2Cny8P
InChI InChI=1S/C15H15NO4S/c1-3-19-14(17)11-9-13(15(18)20-4-2)21-12-8-6-5-7-10(12)16-11/h5-9H,3-4H2,1-2H3
InChIKey NUMKIIQIKAHSHL-UHFFFAOYSA-N
Mol Weight 305.35 g/mol
Molecular Formula C15H15NO4S
Exact Mass 305.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4l5Af18v0VZ
Name 2,4-Bis(ethoxycarbonyl)-1,5-benzothiazepine
Alternate Name(s) Diethyl 1,5-benzothiazepine-2,4-dicarboxylate
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Formula C15H15NO4S
InChI InChI=1S/C15H15NO4S/c1-3-19-14(17)11-9-13(15(18)20-4-2)21-12-8-6-5-7-10(12)16-11/h5-9H,3-4H2,1-2H3
InChIKey NUMKIIQIKAHSHL-UHFFFAOYSA-N
Molecular Weight 305.348 g/mol
SMILES C1(=Nc2c(SC(=C1)C(=O)OCC)cccc2)C(=O)OCC
SPLASH splash10-0ue9-0090000000-d28e13af41079032e4e0
Source of Spectrum SO-0-238-7
Wiley ID 872957