| SpectraBase Spectrum ID |
Jxoreub600c |
| Name |
bis[(4-Tert-butylcyclohexylidene)methyl]sulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.269422398 u |
| Formula |
C22H38S |
| InChI |
InChI=1S/C22H38S/c1-21(2,3)19-11-7-17(8-12-19)15-23-16-18-9-13-20(14-10-18)22(4,5)6/h15-16,19-20H,7-14H2,1-6H3/b17-15-,18-16- |
| InChIKey |
RHUUVNOPRBHXSG-IQRFGFHNSA-N |
| Molecular Weight |
334.606 g/mol |
| SMILES |
C1(=CSC=C2CCC(C(C)(C)C)CC2)CCC(C(C)(C)C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972333 |
![Bis[(4-tert-butylcyclohexylidene)methyl]sulfide](/api/spectrum/Jxoreub600c/structure.png?h=300&w=458 "Bis[(4-tert-butylcyclohexylidene)methyl]sulfide")
