| SpectraBase Compound ID | DXBDr4FhczI |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-9(13)16-11-5-3-4-10(8-11)6-7-12(14)15-2/h3-8H,1-2H3/b7-6+ |
| InChIKey | KNJAGEZUWCMFMS-VOTSOKGWSA-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 | LfgS8Kqmd5o |
|---|---|
| Name | m-Coumaric acid meac P468 |
| 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/c1-9(13)16-11-5-3-4-10(8-11)6-7-12(14)15-2/h3-8H,1-2H3/b7-6+ |
| InChIKey | KNJAGEZUWCMFMS-VOTSOKGWSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C)=O)\C=C\C(OC)=O |