| SpectraBase Spectrum ID |
CiQl3pUP7r7 |
| Name |
(5Z)-3-Acetyl-2-ethyl-5-(1-hydroxyethylidene)cyclopent-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.094294308 u |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c1-4-8-9(6(2)12)5-10(7(3)13)11(8)14/h13H,4-5H2,1-3H3/b10-7- |
| InChIKey |
BVZUREZDBQZBND-YFHOEESVSA-N |
| Molecular Weight |
194.230 g/mol |
| SMILES |
C1(\C(CC(=C1CC)C(=O)C)=C\(O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931177 |