| SpectraBase Spectrum ID |
LujiFfkH7Ys |
| Name |
2-Methyl-1,4-diphenylbutane-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.115029753 u |
| Formula |
C17H16O2 |
| InChI |
InChI=1S/C17H16O2/c1-13(17(19)15-10-6-3-7-11-15)12-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3 |
| InChIKey |
NZKWSTSDWYNHNS-UHFFFAOYSA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C(=O)(C(C)CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888443 |
