| SpectraBase Compound ID | BMY61n7m9nQ |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-5-7-9-11-17(12-10-8-6-2)14(16(19)21-4)13-15(18)20-3/h14H,5-13H2,1-4H3 |
| InChIKey | FUNYYVTUGJDEJJ-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6xnn9svWJ5 |
|---|---|
| Name | L-Aspartic acid, N,N-di(N-pentyl)-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-5-7-9-11-17(12-10-8-6-2)14(16(19)21-4)13-15(18)20-3/h14H,5-13H2,1-4H3 |
| InChIKey | FUNYYVTUGJDEJJ-UHFFFAOYSA-N |
| SMILES | COC(=O)CC(N(CCCCC)CCCCC)C(=O)OC |