| SpectraBase Spectrum ID |
vmD9RUCBPw |
| Name |
cis-2-Benzyl-2-(2-methylpropenyl)-1,1-diphenyl-3-(2,2-diphenylvinyl)cyclopropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.281701159 u |
| Formula |
C40H36 |
| InChI |
InChI=1S/C40H36/c1-31(2)29-39(30-32-18-8-3-9-19-32)38(28-37(33-20-10-4-11-21-33)34-22-12-5-13-23-34)40(39,35-24-14-6-15-25-35)36-26-16-7-17-27-36/h3-29,38H,30H2,1-2H3/t38-,39-/m0/s1 |
| InChIKey |
NSAWZQCGODDBGD-YDAXCOIMSA-N |
| Molecular Weight |
516.728 g/mol |
| SMILES |
[C@@]1([C@](C=C(C2=CC=CC=C2)C=2C=CC=CC2)(C1(C1=CC=CC=C1)C=1C=CC=CC1)[H])(C=C(C)C)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87467 |
