| SpectraBase Compound ID | 6U3Mk9H77GT |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-7-5-3-2-4-6-8(7)9(10)11/h2-6H2,1H3,(H,10,11) |
| InChIKey | IBCRDSLWMQVNPK-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1wt82aJoK1l |
|---|---|
| Name | (E)-2-Methylcyclohept-1-enecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-7-5-3-2-4-6-8(7)9(10)11/h2-6H2,1H3,(H,10,11) |
| InChIKey | IBCRDSLWMQVNPK-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(O)(=O)C1=C(CCCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919528 |