SpectraBase Compound ID | LCjX9PL8kew |
---|---|
InChI | InChI=1S/C26H32/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1,3,5-6,9-10,13-14,17-18,22,24H,2,4,7-8,11-12,15-16,19-20H2/b26-25+ |
InChIKey | NZNXCTQCJUUOIG-OCEACIFDSA-N |
Mol Weight | 344.5 g/mol |
Molecular Formula | C26H32 |
Exact Mass | 344.250401 g/mol |
SpectraBase Spectrum ID | 67Nt6szGSH3 |
---|---|
Name | Ethene, 1,2-dicyclohexyl-1,2-diphenyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 344.250401030 u |
Formula | C26H32 |
InChI | InChI=1S/C26H32/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1,3,5-6,9-10,13-14,17-18,22,24H,2,4,7-8,11-12,15-16,19-20H2/b26-25+ |
InChIKey | NZNXCTQCJUUOIG-OCEACIFDSA-N |
Molecular Weight | 344.542 g/mol |
SMILES | C1=CC=C(C=C1)\C(C1CCCCC1)=C/(C1CCCCC1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874388 |