| SpectraBase Compound ID | EYbzHKawr9p |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16) |
| InChIKey | NRVDTUOVKXZNCW-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6KwdmQsp9lw |
|---|---|
| Name | Tridecanoic acid, 12-oxo- |
| 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/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16) |
| InChIKey | NRVDTUOVKXZNCW-UHFFFAOYSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | C(CCCCCCCCCC(O)=O)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930962 |