| SpectraBase Spectrum ID |
Icr1M4NT6KW |
| Name |
Benzene, 1-methyl-4-(3,4,4-triphenyl-1,3-butadienyl)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.187800773 u |
| Formula |
C29H24 |
| InChI |
InChI=1S/C29H24/c1-23-17-19-24(20-18-23)21-22-28(25-11-5-2-6-12-25)29(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-22H,1H3/b22-21+ |
| InChIKey |
RXADBUKBINOHJC-QURGRASLSA-N |
| Molecular Weight |
372.511 g/mol |
| SMILES |
C(=C(C=1C=CC=CC1)C=1C=CC=CC1)(\C=C\C1=CC=C(C=C1)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838935 |
