| SpectraBase Compound ID | CL5nDXrsWIe |
|---|---|
| InChI | InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | QSAWQNUELGIYBC-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 | IrGAoiwRTKh |
|---|---|
| Name | trans-1,2-cyclohexanedicarboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | QSAWQNUELGIYBC-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 172.180 g/mol |
| SMILES | OC(C1C(C(O)=O)CCCC1)=O |
| SPLASH | splash10-003r-9200000000-b6915ca44993d0b572b3 |
| Source of Spectrum | SRH-2022-10319-0 |
| Wiley ID | 1831936 |