| SpectraBase Compound ID | L0iPEKN0qaD |
|---|---|
| InChI | InChI=1S/C13H27NO2/c1-12(14)10-8-6-4-3-5-7-9-11-13(15)16-2/h12H,3-11,14H2,1-2H3 |
| InChIKey | HGLMYKAUFFOJAW-UHFFFAOYSA-N |
| Mol Weight | 229.36 g/mol |
| Molecular Formula | C13H27NO2 |
| Exact Mass | 229.204179 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6j8hHXkRfJx |
|---|---|
| Name | Dodecanoic acid, 11-amino-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.204179111 u |
| Formula | C13H27NO2 |
| InChI | InChI=1S/C13H27NO2/c1-12(14)10-8-6-4-3-5-7-9-11-13(15)16-2/h12H,3-11,14H2,1-2H3 |
| InChIKey | HGLMYKAUFFOJAW-UHFFFAOYSA-N |
| Molecular Weight | 229.364 g/mol |
| SMILES | C(C(OC)=O)CCCCCCCCC(C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946634 |