| SpectraBase Compound ID | Apu2Dqsfy3O |
|---|---|
| InChI | InChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h1-2,7H,3-6H2,(H,9,10) |
| InChIKey | MVALBWJIVQGSGK-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9cLgvnuRIoS |
|---|---|
| Name | 4-Cycloheptene-1-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h1-2,7H,3-6H2,(H,9,10) |
| InChIKey | MVALBWJIVQGSGK-UHFFFAOYSA-N |
| Molecular Weight | 140.182 g/mol |
| SMILES | OC(C1CCC=CCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.909402 |