| SpectraBase Spectrum ID |
1bnAGYXGYdd |
| Name |
3-Buten-1-one, 4-ethoxy-2-methyl-1-(2-methylphenyl)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-4-16-10-9-12(3)14(15)13-8-6-5-7-11(13)2/h5-10,12H,4H2,1-3H3/b10-9+ |
| InChIKey |
FHZFMMVPATXUJT-MDZDMXLPSA-N |
| Molecular Weight |
218.296 g/mol |
| SMILES |
C(C=1C(C)=CC=CC1)(=O)C(\C=C\OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943681 |
