| SpectraBase Spectrum ID |
5imG6BKj7k0 |
| Name |
Benzoic acid, 2-methoxy-6-(3-methoxy-3-oxo-1-propenyl)-4-methyl-, methyl ester, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.099773610 u |
| Formula |
C14H16O5 |
| InChI |
InChI=1S/C14H16O5/c1-9-7-10(5-6-12(15)18-3)13(14(16)19-4)11(8-9)17-2/h5-8H,1-4H3/b6-5+ |
| InChIKey |
DAFUNVWDZGLPIL-AATRIKPKSA-N |
| Molecular Weight |
264.277 g/mol |
| SMILES |
C1(=C(\C=C\C(=O)OC)C=C(C=C1OC)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969486 |
