| SpectraBase Compound ID | KISaPtkEapP |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h7-8H,2-6H2,1H3,(H,12,13) |
| InChIKey | HNCGOLBWDFXPKU-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BP3Vt32SJaK |
|---|---|
| Name | 3-(5-Methyl-2-oxocyclohexyl)propanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h7-8H,2-6H2,1H3,(H,12,13) |
| InChIKey | HNCGOLBWDFXPKU-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C1(C(CC(CC1)C)CCC(=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989671 |