| SpectraBase Compound ID | 6uJju946ruF |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-6,9H2,1H3,(H,11,12) |
| InChIKey | KIZIQHLTPZNNRL-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 | 2ZP7mx99e92 |
|---|---|
| Name | 3-Decanynoic 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/c1-2-3-4-5-6-7-8-9-10(11)12/h2-6,9H2,1H3,(H,11,12) |
| InChIKey | KIZIQHLTPZNNRL-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | CCCCCCC#CCC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962166 |