| SpectraBase Spectrum ID |
EdkhUvw4y4C |
| Name |
7-(4-Fluorophenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.070820030 u |
| Formula |
C22H16FNS2 |
| InChI |
InChI=1S/C22H16FNS2/c23-15-11-9-14(10-12-15)22-17-13-25-19-7-3-1-5-16(19)21(17)24-18-6-2-4-8-20(18)26-22/h1-12,17,22H,13H2 |
| InChIKey |
JHIAVJNQHKCIOU-UHFFFAOYSA-N |
| Molecular Weight |
377.495 g/mol |
| SMILES |
C12=CC=CC=C2SCC2C1=NC=1C(=CC=CC1)SC2C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93374 |
![7-(4-Fluorophenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine](/api/spectrum/EdkhUvw4y4C/structure.png?h=300&w=458 "7-(4-Fluorophenyl)-6A,7-dihydro-6H-[1]benzothiopyrano[3,4-C][1,5]benzothiazepine")
