| SpectraBase Compound ID | 2gABxlztZwr |
|---|---|
| InChI | InChI=1S/C16H31NO3/c1-5-14(6-2)17-15(18)10-7-11-16(19)20-12-8-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,18) |
| InChIKey | KFOMTYCXPIAJFQ-UHFFFAOYSA-N |
| Mol Weight | 285.43 g/mol |
| Molecular Formula | C16H31NO3 |
| Exact Mass | 285.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDqzRKZF3F2 |
|---|---|
| Name | Glutaric acid, monoamide, N-(3-pentyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.230393859 u |
| Formula | C16H31NO3 |
| InChI | InChI=1S/C16H31NO3/c1-5-14(6-2)17-15(18)10-7-11-16(19)20-12-8-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,18) |
| InChIKey | KFOMTYCXPIAJFQ-UHFFFAOYSA-N |
| SMILES | CCC(NC(CCCC(OCCCC(C)C)=O)=O)CC |