| SpectraBase Spectrum ID |
KnxWrWxSrHU |
| Name |
2-[2-(4-Chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl]phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.079763077 u |
| Formula |
C21H18ClNOS |
| InChI |
InChI=1S/C21H18ClNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,18,21,23-24H,13H2 |
| InChIKey |
ZSZZTHHVSXVNEW-UHFFFAOYSA-N |
| Molecular Weight |
367.894 g/mol |
| SMILES |
C1=2NC(CC(SC2C=CC=C1)C1=CC=C(C=C1)Cl)C1=CC=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952909 |
![2-[2-(4-Chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl]phenol](/api/spectrum/KnxWrWxSrHU/structure.png?h=300&w=458 "2-[2-(4-Chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl]phenol")
