| SpectraBase Spectrum ID |
4STr2HhNBpu |
| Name |
(S)-4-(2-Hydroxyphenyl)-2-(4-methylthiophenyl)-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 |
377.090806583 u |
| Formula |
C22H19NOS2 |
| InChI |
InChI=1S/C22H19NOS2/c1-25-16-12-10-15(11-13-16)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)26-22/h2-13,22,24H,14H2,1H3/t22-/m0/s1 |
| InChIKey |
IMUGOSPSAXRDHH-QFIPXVFZSA-N |
| Molecular Weight |
377.520 g/mol |
| SMILES |
C1(=NC=2C(=CC=CC2)S[C@@](C1)(C1=CC=C(C=C1)SC)[H])C1=C(O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955458 |
