| SpectraBase Spectrum ID |
CmWz1BdgdPf |
| Name |
1-(iso-Butanoyl)-2-(benzoyl)ethylene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.099379689 u |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-10(2)12(14)8-9-13(15)11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+ |
| InChIKey |
FLDIKYYFCJLZGN-CMDGGOBGSA-N |
| Molecular Weight |
202.253 g/mol |
| SMILES |
C(\C=C\C(=O)C=1C=CC=CC1)(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945024 |
