| SpectraBase Spectrum ID |
7zQsXOCUmWX |
| Name |
7-Phenyl-5-methylthio-2-methyl-2,4-heptadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.128571818 u |
| Formula |
C15H20S |
| InChI |
InChI=1S/C15H20S/c1-13(2)9-11-15(16-3)12-10-14-7-5-4-6-8-14/h4-9,11H,10,12H2,1-3H3/b15-11- |
| InChIKey |
ZOLORGMDQLSGBD-PTNGSMBKSA-N |
| Molecular Weight |
232.385 g/mol |
| SMILES |
CC(=C\C=C\(CCC=1C=CC=CC1)SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915687 |
