| SpectraBase Compound ID | Eg0wLUoFgvB |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-12(2)13(14)15-3/h12H,4-11H2,1-3H3 |
| InChIKey | KGVPRVBZKYLXFP-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L2s0gLu4Ea0 |
|---|---|
| Name | Undecanoic acid, 2-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-12(2)13(14)15-3/h12H,4-11H2,1-3H3 |
| InChIKey | KGVPRVBZKYLXFP-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | C(C(C(OC)=O)C)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977884 |