| SpectraBase Compound ID | 9cCnMTz5kY0 |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChIKey | PMZBHPUNQNKBOA-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tB2s7HbQHb |
|---|---|
| Name | 5-methylisophthalic acid |
| Comments | OH's unobserved |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChIKey | PMZBHPUNQNKBOA-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 8054M |
| Solvent | DMSO-d6 |