| SpectraBase Spectrum ID |
9qi4ieO46TC |
| Name |
2-Methyl-2-(4-oxo-4-phenyl-but-2-enyl)-cyclopentane-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.109944372 u |
| Formula |
C16H16O3 |
| InChI |
InChI=1S/C16H16O3/c1-16(14(18)9-10-15(16)19)11-5-8-13(17)12-6-3-2-4-7-12/h2-8H,9-11H2,1H3/b8-5+ |
| InChIKey |
ATSRJISDNXBLMG-VMPITWQZSA-N |
| Molecular Weight |
256.301 g/mol |
| SMILES |
C1(C(=O)CCC1=O)(C\C=C\C(C1=CC=CC=C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97116 |
