| SpectraBase Compound ID | IK0OJZFAWne |
|---|---|
| InChI | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
| InChIKey | HNEGQIOMVPPMNR-NSCUHMNNSA-N |
| Mol Weight | 130.1 g/mol |
| Molecular Formula | C5H6O4 |
| Exact Mass | 130.026609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | IERTuMDJGU5 |
|---|---|
| Name | Mesaconic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 131040 |
| CAS Registry Number | 498-24-8 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H6O4 |
| InChI | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
| InChIKey | HNEGQIOMVPPMNR-NSCUHMNNSA-N |
| Observed nucleus | 13C |
| Purity | 99% |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | Methylfumaric acid |
| Wiley ID | SIAL_13CNMR_000894 |