| SpectraBase Spectrum ID |
JrxWrnY6xMt |
| Name |
1-Acetyl-4-( 1'-oxo-4'-pentenyl)benzene |
| 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/c1-3-4-5-13(15)12-8-6-11(7-9-12)10(2)14/h3,6-9H,1,4-5H2,2H3 |
| InChIKey |
NLKBTUJDRMQBEU-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| Nominal Mass |
202 u |
| SMILES |
C=1(C(=O)C)C=CC(=CC1)C(=O)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908259 |
