| SpectraBase Compound ID | EMQLR9mUtRo |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-6H2,1-3H3,(H,11,12) |
| InChIKey | XOQRKINTHIDGND-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5DmMj93vNFd |
|---|---|
| Name | 2,6,6-Trimethyl-1-cyclohexene-1-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-6H2,1-3H3,(H,11,12) |
| InChIKey | XOQRKINTHIDGND-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(C(=C(CCC1)C)C(O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984144 |