| SpectraBase Spectrum ID |
28pfxCZnvFi |
| Name |
Acenaphthylene, 1-[(4-chlorophenyl)thio]-1,2-dihydro-2-(phenylthio)-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.046020595 u |
| Formula |
C24H17ClS2 |
| InChI |
InChI=1S/C24H17ClS2/c25-17-12-14-19(15-13-17)27-24-21-11-5-7-16-6-4-10-20(22(16)21)23(24)26-18-8-2-1-3-9-18/h1-15,23-24H/t23-,24+/m0/s1 |
| InChIKey |
YAAKOJIAGYARHF-BJKOFHAPSA-N |
| Molecular Weight |
404.973 g/mol |
| SMILES |
[C@]1([C@](C=2C=CC=C3C2C1=CC=C3)(SC=1C=CC=CC1)[H])(SC1=CC=C(C=C1)Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890943 |