| SpectraBase Compound ID | 1j1BCXBOndJ |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h8-9H,4-7H2,1-3H3,(H,12,13) |
| InChIKey | VXUHWUNUVYCREV-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3g9IP0euBFf |
|---|---|
| Name | 2-(3,3,5-Trimethylcyclohexyl)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h8-9H,4-7H2,1-3H3,(H,12,13) |
| InChIKey | VXUHWUNUVYCREV-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(O)(=O)CC1CC(CC(C1)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984591 |