| SpectraBase Spectrum ID |
7fHcxljgMm5 |
| Name |
Benzaldehyde, 2-(ethoxycarbonyl)oxy-4-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-3-15-11(13)16-10-6-9(14-2)5-4-8(10)7-12/h4-7H,3H2,1-2H3 |
| InChIKey |
MVINXQXHZMSZJL-UHFFFAOYSA-N |
| Molecular Weight |
224.212 g/mol |
| SMILES |
COC1=CC(OC(OCC)=O)=C(C=C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9652 |
