| SpectraBase Spectrum ID |
6LKUa72o8Xo |
| Name |
Benzoic acid, 4-(3-methoxy-3-oxo-1-propenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.073558862 u |
| Formula |
C12H12O4 |
| InChI |
InChI=1S/C12H12O4/c1-15-11(13)8-5-9-3-6-10(7-4-9)12(14)16-2/h3-8H,1-2H3/b8-5+ |
| InChIKey |
OHHRWWCYKPUJOW-VMPITWQZSA-N |
| Molecular Weight |
220.224 g/mol |
| SMILES |
C(=O)(C1=CC=C(\C=C\C(OC)=O)C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971888 |
![Methyl (E)-4-[2'-(Methoxycarbonyl)vinyl]benzoate](/api/spectrum/6LKUa72o8Xo/structure.png?h=300&w=458 "Methyl (E)-4-[2'-(Methoxycarbonyl)vinyl]benzoate")
