| SpectraBase Spectrum ID |
6jbjdUsWTDa |
| Name |
1,3-Cyclopentadiene, 1,2,3,4,5-pentabenzyl- |
| 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/c1-6-16-31(17-7-1)26-36-37(27-32-18-8-2-9-19-32)39(29-34-22-12-4-13-23-34)40(30-35-24-14-5-15-25-35)38(36)28-33-20-10-3-11-21-33/h1-25,36H,26-30H2 |
| InChIKey |
AWGRPDAWBOZCHI-UHFFFAOYSA-N |
| Molecular Weight |
516.728 g/mol |
| SMILES |
C1(=CC=CC=C1)CC1=C(CC2=CC=CC=C2)C(C(=C1CC1=CC=CC=C1)CC1=CC=CC=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979385 |
