| SpectraBase Spectrum ID |
LOkuaimh29Q |
| Name |
Vanillic acid, o-(N-propyloxycarbonyl)-, methyl 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/c1-4-7-18-13(15)19-10-6-5-9(12(14)17-3)8-11(10)16-2/h5-6,8H,4,7H2,1-3H3 |
| InChIKey |
XSXSOFKPHDXUDF-UHFFFAOYSA-N |
| SMILES |
C(C1=CC(=C(C=C1)OC(OCCC)=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95312 |
