| SpectraBase Spectrum ID |
6rI1SLCuzcy |
| Name |
(cis)-2-Benzyl-1,4-diethyl-1,2,5,6,7,8-hexahydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.219100902 u |
| Formula |
C21H28 |
| InChI |
InChI=1S/C21H28/c1-3-17-15-18(14-16-10-6-5-7-11-16)19(4-2)21-13-9-8-12-20(17)21/h5-7,10-11,15,18-19H,3-4,8-9,12-14H2,1-2H3/t18-,19-/m0/s1 |
| InChIKey |
ZXWKVVIGNYYMLO-OALUTQOASA-N |
| SMILES |
C12=C(C(CC)=C[C@@]([C@@]2(CC)[H])(CC=2C=CC=CC2)[H])CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954359 |
