| SpectraBase Spectrum ID |
EYsLbUeqFiF |
| Name |
1,6-Diphenyl-4-oxohex-1-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.135765199 u |
| Formula |
C18H18O |
| InChI |
InChI=1S/C18H18O/c19-18(15-14-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+ |
| InChIKey |
XPZRLUHFPWOUNB-KPKJPENVSA-N |
| Molecular Weight |
250.341 g/mol |
| SMILES |
C=1(\C=C\CC(=O)CCC2=CC=CC=C2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905722 |