| SpectraBase Compound ID | JmBe7tWssQY |
|---|---|
| InChI | InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12) |
| InChIKey | UFDHBDMSHIXOKF-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BDw4zISG08z |
|---|---|
| Name | 1-Cyclohexene-1,2-dicarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H2,(H,9,10)(H,11,12) |
| InChIKey | UFDHBDMSHIXOKF-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=C(C(O)=O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883551 |