| SpectraBase Spectrum ID |
6iXrkwI223y |
| Name |
1,1-Dichloro-1,1A,2,3-tetrahydro-1A,3-diphenylazirino[2,1-D]benzothiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.045876125 u |
| Formula |
C22H17Cl2NS |
| InChI |
InChI=1S/C22H17Cl2NS/c23-22(24)21(17-11-5-2-6-12-17)15-20(16-9-3-1-4-10-16)26-19-14-8-7-13-18(19)25(21)22/h1-14,20H,15H2 |
| InChIKey |
MXRMHKOWACQSPK-UHFFFAOYSA-N |
| Molecular Weight |
398.351 g/mol |
| SMILES |
C1=2N3C(CC(SC2C=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C3(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90206 |
![1,1-Dichloro-1,1A,2,3-tetrahydro-1A,3-diphenylazirino[2,1-D]benzothiazepine](/api/spectrum/6iXrkwI223y/structure.png?h=300&w=458 "1,1-Dichloro-1,1A,2,3-tetrahydro-1A,3-diphenylazirino[2,1-D]benzothiazepine")
