| SpectraBase Spectrum ID |
9GJTkeigc4s |
| Name |
Ethyl o-carboethoxymethylsalicylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-3-16-12(14)9-18-11-8-6-5-7-10(11)13(15)17-4-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
NIUVYKIVCCMXLR-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C1=CC(C(=O)OCC)=C(C=C1)OCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984942 |
