| SpectraBase Compound ID | HofkH0POKJT |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-9(2)7-5-6-8-11(12)13-10(3)4/h10H,1,5-8H2,2-4H3 |
| InChIKey | HTNKVJGXDXMPTH-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 | JsbIiV292Un |
|---|---|
| Name | 6-Methyl-6-heptenoic acid, isopropyl ester |
| 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/c1-9(2)7-5-6-8-11(12)13-10(3)4/h10H,1,5-8H2,2-4H3 |
| InChIKey | HTNKVJGXDXMPTH-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | CC(CCCCC(OC(C)C)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948714 |