| SpectraBase Spectrum ID |
5ijllc0DaNv |
| Name |
(S) 4-(2-Hydroxyphenyl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.118735409 u |
| Formula |
C22H19NOS |
| InChI |
InChI=1S/C22H19NOS/c1-15-10-12-16(13-11-15)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)25-22/h2-13,22,24H,14H2,1H3/t22-/m0/s1 |
| InChIKey |
JCASSNKUSMVRLK-QFIPXVFZSA-N |
| Molecular Weight |
345.460 g/mol |
| SMILES |
C1(=NC2=C(C=CC=C2)S[C@@](C1)(C1=CC=C(C=C1)C)[H])C1=C(O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893667 |
