SpectraBase Spectrum ID |
52NaElUJ37w |
Name |
Trans-3-ethoxycarbonyloxy-4-methoxycinnamic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.079038165 u |
Formula |
C13H14O6 |
InChI |
InChI=1S/C13H14O6/c1-3-18-13(16)19-11-8-9(5-7-12(14)15)4-6-10(11)17-2/h4-8H,3H2,1-2H3,(H,14,15)/b7-5+ |
InChIKey |
QHFAPHJPDBDCMF-FNORWQNLSA-N |
Molecular Weight |
266.249 g/mol |
SMILES |
C1=C(C=CC(=C1OC(OCC)=O)OC)\C=C\C(O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929925 |