| SpectraBase Spectrum ID |
50D395QneXg |
| Name |
Benzene, [(1,2-dimethyl-2-hepten-4-ynyl)thio]-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.112921754 u |
| Formula |
C15H18S |
| InChI |
InChI=1S/C15H18S/c1-4-5-7-10-13(2)14(3)16-15-11-8-6-9-12-15/h6,8-12,14H,4H2,1-3H3/b13-10+ |
| InChIKey |
MFUUYLYECHJVDY-JLHYYAGUSA-N |
| Molecular Weight |
230.369 g/mol |
| SMILES |
C(#CCC)\C=C\(C(SC1=CC=CC=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924236 |
![Benzene, [(1,2-dimethyl-2-hepten-4-ynyl)thio]-, (E)-](/api/spectrum/50D395QneXg/structure.png?h=300&w=458 "Benzene, [(1,2-dimethyl-2-hepten-4-ynyl)thio]-, (E)-")
