| SpectraBase Compound ID | IHSqZfqQvPP |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-4-6-8-9-10-12(15-14(17)18-3)13(16)19-11-7-5-2/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | KNNUAIHPYZHMCR-UHFFFAOYSA-N |
| Mol Weight | 273.37 g/mol |
| Molecular Formula | C14H27NO4 |
| Exact Mass | 273.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFaCZ1cfRn |
|---|---|
| Name | 2-Aminocaprylic acid, N-methoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.194008349 u |
| Formula | C14H27NO4 |
| InChI | InChI=1S/C14H27NO4/c1-4-6-8-9-10-12(15-14(17)18-3)13(16)19-11-7-5-2/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | KNNUAIHPYZHMCR-UHFFFAOYSA-N |
| SMILES | CCCCCCC(NC(OC)=O)C(=O)OCCCC |