| SpectraBase Spectrum ID |
6eF4GGthv80 |
| Name |
(3-Methyl-6-propan-2-ylidene-cyclohex-2-en-1-yl)methylsulfanylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.144221882 u |
| Formula |
C17H22S |
| InChI |
InChI=1S/C17H22S/c1-13(2)17-10-9-14(3)11-15(17)12-18-16-7-5-4-6-8-16/h4-8,11,15H,9-10,12H2,1-3H3 |
| InChIKey |
CYMXQAJRKOEMAF-UHFFFAOYSA-N |
| Molecular Weight |
258.423 g/mol |
| SMILES |
C1(C(C=C(CC1)C)CSC=1C=CC=CC1)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822309 |
