![Methyl (E)-4-[2'-(Methoxycarbonyl)vinyl]benzoate](/api/spectrum/Bc2Rs0WoKrF/structure.png?h=300&w=458 "Methyl (E)-4-[2'-(Methoxycarbonyl)vinyl]benzoate")
| SpectraBase Compound ID | GHAABCW0bUz |
|---|---|
| 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 |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bc2Rs0WoKrF |
|---|---|
| Name | Benzoic acid, 4-(3-methoxy-3-oxo-1-propenyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |