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2,3-Dihydro-2-(m-nitrophenyl)-4-phenyl-1,5-benzothiazepine

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

2,3-Dihydro-2-(m-nitrophenyl)-4-phenyl-1,5-benzothiazepine
SpectraBase Compound ID 9BIUH5jINlA
InChI InChI=1S/C21H16N2O2S/c24-23(25)17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)22-18-11-4-5-12-20(18)26-21/h1-13,21H,14H2
InChIKey XXYPDVRSHFSOFF-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C21H16N2O2S
Exact Mass 360.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sqxmttuHKb
Name 2,3-Dihydro-2-(m-nitrophenyl)-4-phenyl-1,5-benzothiazepine
Comments Computed using HOSE algorithm
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Exact Mass 360.093248935 u
Formula C21H16N2O2S
InChI InChI=1S/C21H16N2O2S/c24-23(25)17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)22-18-11-4-5-12-20(18)26-21/h1-13,21H,14H2
InChIKey XXYPDVRSHFSOFF-UHFFFAOYSA-N
Molecular Weight 360.431 g/mol
SMILES N(=O)(=O)C=1C=CC=C(C1)C1CC(=NC=2C=CC=CC2S1)C=1C=CC=CC1