| SpectraBase Compound ID | JrSzfNoeBfG |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-4-5-6-9(10(11)12)7-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,12) |
| InChIKey | GKIOPTBQHQARRY-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7UmeeeOhl0X |
|---|---|
| Name | 2-(2-Methylpropyl)-5-hexenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-4-5-6-9(10(11)12)7-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,12) |
| InChIKey | GKIOPTBQHQARRY-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(C(CC(C)C)CCC=C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971866 |