| SpectraBase Spectrum ID |
AwLpsZHbdAH |
| Name |
4-[(2'-Mercaptoethyl)thio]-4-phenylbutan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.064257482 u |
| Formula |
C12H16OS2 |
| InChI |
InChI=1S/C12H16OS2/c1-10(13)9-12(15-8-7-14)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3 |
| InChIKey |
ZEUBOIQHEHFVDE-UHFFFAOYSA-N |
| Molecular Weight |
240.379 g/mol |
| SMILES |
C(C(C1=CC=CC=C1)SCCS)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973526 |
![4-[(2'-Mercaptoethyl)thio]-4-phenylbutan-2-one](/api/spectrum/AwLpsZHbdAH/structure.png?h=300&w=458 "4-[(2'-Mercaptoethyl)thio]-4-phenylbutan-2-one")
