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

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

2,3-Dihydro-2-(m-nitrophenyl)-4-p-tolyl-1,5-benzothiazepine
SpectraBase Compound ID 5jXltNGZaFT
InChI InChI=1S/C22H18N2O2S/c1-15-9-11-16(12-10-15)20-14-22(17-5-4-6-18(13-17)24(25)26)27-21-8-3-2-7-19(21)23-20/h2-13,22H,14H2,1H3
InChIKey PFFYFNYHJJAZOY-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C22H18N2O2S
Exact Mass 374.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpQwTYXbIE7
Name 2,3-Dihydro-2-(m-nitrophenyl)-4-p-tolyl-1,5-benzothiazepine
Comments Computed using HOSE algorithm
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Exact Mass 374.108899000 u
Formula C22H18N2O2S
InChI InChI=1S/C22H18N2O2S/c1-15-9-11-16(12-10-15)20-14-22(17-5-4-6-18(13-17)24(25)26)27-21-8-3-2-7-19(21)23-20/h2-13,22H,14H2,1H3
InChIKey PFFYFNYHJJAZOY-UHFFFAOYSA-N
Molecular Weight 374.458 g/mol
SMILES N(=O)(=O)C=1C=CC=C(C1)C1CC(=NC=2C=CC=CC2S1)C=1C=CC(=CC1)C