| SpectraBase Spectrum ID |
22Q4nuin7fZ |
| Name |
1-Chloro-3-phenylthiopropyl phenyl sulfoxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.025285150 u |
| Formula |
C15H15ClOS2 |
| InChI |
InChI=1S/C15H15ClOS2/c16-15(19(17)14-9-5-2-6-10-14)11-12-18-13-7-3-1-4-8-13/h1-10,15H,11-12H2 |
| InChIKey |
HMKXBBGUCGHQDL-UHFFFAOYSA-N |
| Molecular Weight |
310.857 g/mol |
| SMILES |
C(S(=O)C=1C=CC=CC1)(CCSC1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887843 |
