| SpectraBase Spectrum ID |
AFBmFfPrgwg |
| Name |
1-Phenyl-2-phenylethyl-1,3-butanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.130679818 u |
| Formula |
C18H18O2 |
| InChI |
InChI=1S/C18H18O2/c1-14(19)17(13-12-15-8-4-2-5-9-15)18(20)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3 |
| InChIKey |
XSGIPLMWXMVWBF-UHFFFAOYSA-N |
| Molecular Weight |
266.340 g/mol |
| SMILES |
C(C(=O)C1=CC=CC=C1)(CCC=1C=CC=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95179 |
