| SpectraBase Spectrum ID |
5tgzwFkEKfK |
| Name |
4-Acetoxy-3-methoxycinnamaldehyde, predominantly trans |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.073558862 u |
| Formula |
C12H12O4 |
| InChI |
InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+ |
| InChIKey |
VEKAJHBFBMWJKI-ONEGZZNKSA-N |
| Molecular Weight |
220.224 g/mol |
| SMILES |
C=1(OC(=O)C)C(=CC(\C=C\C=O)=CC1)OC |
| Spectrum/Structure Validation Score (Raman) |
0.969223 |
