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

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(p-Methoxyphenyl)-2-(4-pyridyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine
SpectraBase Compound ID CLSIg2vg8JU
InChI InChI=1S/C21H20N2OS/c1-24-17-8-6-15(7-9-17)19-14-21(16-10-12-22-13-11-16)25-20-5-3-2-4-18(20)23-19/h2-13,19,21,23H,14H2,1H3
InChIKey SRKBBLOLQHUUHL-UHFFFAOYSA-N
Mol Weight 348.46 g/mol
Molecular Formula C21H20N2OS
Exact Mass 348.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEjkIMQyZuE
Name 4-(p-Methoxyphenyl)-2-(4-pyridyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.129634445 u
Formula C21H20N2OS
InChI InChI=1S/C21H20N2OS/c1-24-17-8-6-15(7-9-17)19-14-21(16-10-12-22-13-11-16)25-20-5-3-2-4-18(20)23-19/h2-13,19,21,23H,14H2,1H3
InChIKey SRKBBLOLQHUUHL-UHFFFAOYSA-N
Molecular Weight 348.464 g/mol
SMILES N1C=2C=CC=CC2SC(CC1C=1C=CC(=CC1)OC)C=1C=CN=CC1