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2-(4-Methoxyphenyl)-4-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(4-Methoxyphenyl)-4-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
SpectraBase Compound ID 50zRGra4XZn
InChI InChI=1S/C22H21NOS/c1-24-18-13-11-17(12-14-18)22-15-20(16-7-3-2-4-8-16)23-19-9-5-6-10-21(19)25-22/h2-14,20,22-23H,15H2,1H3
InChIKey UIANAJIPWPKZLI-UHFFFAOYSA-N
Mol Weight 347.48 g/mol
Molecular Formula C22H21NOS
Exact Mass 347.134385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MXdTZvqV6L
Name 2-(4-Methoxyphenyl)-4-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
Comments Computed using HOSE algorithm
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Exact Mass 347.134385473 u
Formula C22H21NOS
InChI InChI=1S/C22H21NOS/c1-24-18-13-11-17(12-14-18)22-15-20(16-7-3-2-4-8-16)23-19-9-5-6-10-21(19)25-22/h2-14,20,22-23H,15H2,1H3
InChIKey UIANAJIPWPKZLI-UHFFFAOYSA-N
Molecular Weight 347.476 g/mol
SMILES C1=2NC(CC(SC2C=CC=C1)C1=CC=C(C=C1)OC)C1=CC=CC=C1