| SpectraBase Compound ID | A4ZJpzrfZgL |
|---|---|
| InChI | InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| InChIKey | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| Mol Weight | 166.13 g/mol |
| Molecular Formula | C8H6O4 |
| Exact Mass | 166.026609 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5vJyMR05JHh |
|---|---|
| Name | Isophthalic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6O4 |
| InChI | InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| InChIKey | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 166.132 g/mol |
| SMILES | OC(c1cc(C(O)=O)ccc1)=O |
| SPLASH | splash10-014j-9800000000-5bc198aa0813908aee25 |
| Source of Spectrum | SRH-2022-10465-0 |
| Synonyms | 1,3-Benzenedicaboxylic acid |
| Wiley ID | 1832081 |