| SpectraBase Spectrum ID |
EDksFstsTfu |
| Name |
5,6,7,7A,9,10,11,11A-Octahydro-7-phenylthio-8H-12-thiabenz[A]anthracen-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.111207675 u |
| Formula |
C23H22OS2 |
| InChI |
InChI=1S/C23H22OS2/c24-19-11-6-12-20-21(19)23(25-16-8-2-1-3-9-16)18-14-13-15-7-4-5-10-17(15)22(18)26-20/h1-5,7-10,20-21,23H,6,11-14H2 |
| InChIKey |
VTSLTTHGVJEMGL-UHFFFAOYSA-N |
| Molecular Weight |
378.548 g/mol |
| SMILES |
C12=C(C(SC=3C=CC=CC3)C3C(S1)CCCC3=O)CCC=1C2=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956222 |
![5,6,7,7a,9,10,11,11a-Octahydro-7-phenylthio-8H-12-thiabenz[a]anthracen-8-one](/api/spectrum/EDksFstsTfu/structure.png?h=300&w=458 "5,6,7,7a,9,10,11,11a-Octahydro-7-phenylthio-8H-12-thiabenz[a]anthracen-8-one")
