| SpectraBase Compound ID | KQ9PnGRHcal |
|---|---|
| InChI | InChI=1S/C6H5NO5/c1-2-3(5(8)9)4(6(10)11)12-7-2/h1H3,(H,8,9)(H,10,11) |
| InChIKey | PMPPVMJSTKRCSC-UHFFFAOYSA-N |
| Mol Weight | 171.11 g/mol |
| Molecular Formula | C6H5NO5 |
| Exact Mass | 171.016772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWI6rPj1KVU |
|---|---|
| Name | 3-METHYL-ISOXAZOLE-4,5-DICARBOXYLIC-ACID |
| Compound Number | 2C |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C6H5NO5/c1-2-3(5(8)9)4(6(10)11)12-7-2/h1H3,(H,8,9)(H,10,11) |
| InChIKey | PMPPVMJSTKRCSC-UHFFFAOYSA-N |
| Literature Reference | J.CHEM.SOC.PERKIN-1,1035(1996) C.PLUEG,W.FRIEDRICHSEN |
| Solvent | Dimethyl sulfoxide-d6 |
| Technique | C/H SHIFT CORRELATION |