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2,5-Dihydro-2-(p-methoxyphenyl)-4-methyl-1,5-benzothiazepine

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

2,5-Dihydro-2-(p-methoxyphenyl)-4-methyl-1,5-benzothiazepine
SpectraBase Compound ID 4VR6J5BbUsI
InChI InChI=1S/C17H17NOS.ClH/c1-12-11-17(13-7-9-14(19-2)10-8-13)20-16-6-4-3-5-15(16)18-12;/h3-11,17-18H,1-2H3;1H
InChIKey UGBIMFBBUZTQDQ-UHFFFAOYSA-N
Mol Weight 319.85 g/mol
Molecular Formula C17H18ClNOS
Exact Mass 319.079763 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID H8FsHTlI7dz
Name 2,5-Dihydro-2-(p-methoxyphenyl)-4-methyl-1,5-benzothiazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.079763077 u
Formula C17H18ClNOS
InChI InChI=1S/C17H17NOS.ClH/c1-12-11-17(13-7-9-14(19-2)10-8-13)20-16-6-4-3-5-15(16)18-12;/h3-11,17-18H,1-2H3;1H
InChIKey UGBIMFBBUZTQDQ-UHFFFAOYSA-N
Molecular Weight 319.850 g/mol
SMILES Cl.N1C=2C=CC=CC2SC(C=C1C)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Raman) 0.722294