SpectraBase Spectrum ID |
2v6ZVbOvOos |
Name |
Trans-3-(isopropyloxycarbonyl)oxy-4-methoxycinnamic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.094688229 u |
Formula |
C14H16O6 |
InChI |
InChI=1S/C14H16O6/c1-9(2)19-14(17)20-12-8-10(5-7-13(15)16)4-6-11(12)18-3/h4-9H,1-3H3,(H,15,16)/b7-5+ |
InChIKey |
ZVPDNGJUGHZKNA-FNORWQNLSA-N |
SMILES |
C1=C(C=CC(=C1OC(OC(C)C)=O)OC)\C=C\C(O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901504 |