| SpectraBase Spectrum ID |
LkgqcmtIuop |
| Name |
2-(4-Methoxyphenyl)-4-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897547 |
