| SpectraBase Compound ID | U85ixEYFXR |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h2-11H2,1H3,(H,15,16) |
| InChIKey | ICUSPHFFJKGZCW-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2KtGugtE1uk |
|---|---|
| Name | 2-Oxotridecanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h2-11H2,1H3,(H,15,16) |
| InChIKey | ICUSPHFFJKGZCW-UHFFFAOYSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | OC(C(CCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.965082 |