| SpectraBase Compound ID | 2ekXr2K8nic |
|---|---|
| InChI | InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-2,5H,3-4H2,(H,8,9) |
| InChIKey | XCSQXCKDEVRTHN-UHFFFAOYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9J60re6DkGD |
|---|---|
| Name | Cyclohexa-1,4-dienecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-2,5H,3-4H2,(H,8,9) |
| InChIKey | XCSQXCKDEVRTHN-UHFFFAOYSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C=1CC=C(CC1)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817617 |