| SpectraBase Compound ID | GYuO1CUc4FJ |
|---|---|
| InChI | InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | XBZSBBLNHFMTEB-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3cmSAPKyOH3 |
|---|---|
| Name | cyclohexane-1,3-dicarboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | XBZSBBLNHFMTEB-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | OC(C1CCCC(C(O)=O)C1)=O |
| SPLASH | splash10-001i-9200000000-3c3525b7e15b99e92787 |
| Source of Spectrum | JX-2012-510 |
| Wiley ID | 1660957 |