| SpectraBase Spectrum ID |
JNVE5cqFRkc |
| Name |
1,3-Diphenyl-2,4-bis(3-methylphenyl)but-2-en-1,4-dione isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.177630011 u |
| Formula |
C30H24O2 |
| InChI |
InChI=1S/C30H24O2/c1-21-11-9-17-25(19-21)28(29(31)24-15-7-4-8-16-24)27(23-13-5-3-6-14-23)30(32)26-18-10-12-22(2)20-26/h3-20H,1-2H3/b28-27+ |
| InChIKey |
GIDMZDQPJIXMQT-BYYHNAKLSA-N |
| Molecular Weight |
416.520 g/mol |
| SMILES |
C(\C(=C\(C(=O)C=1C=CC=CC1)C=1C=C(C)C=CC1)C1=CC=CC=C1)(C=1C=C(C)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931385 |
