| SpectraBase Spectrum ID |
6s7nOgnvlAE |
| Name |
Salicylic acid, 3-methoxy-, o-ethoxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.094688229 u |
| Formula |
C13H16O6 |
| InChI |
InChI=1S/C13H16O6/c1-4-17-12(14)9-7-6-8-10(16-3)11(9)19-13(15)18-5-2/h6-8H,4-5H2,1-3H3 |
| InChIKey |
JSVBGHSQVGMUEQ-UHFFFAOYSA-N |
| SMILES |
C1=CC(=C(C(=C1)C(OCC)=O)OC(OCC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945824 |
