| SpectraBase Compound ID | I7VepRyRzmr |
|---|---|
| InChI | InChI=1S/C20H31NO3/c1-3-5-10-17-24-20(23)15-11-14-19(22)21(16-6-4-2)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3 |
| InChIKey | TURWIAHADOFJDB-UHFFFAOYSA-N |
| Mol Weight | 333.47 g/mol |
| Molecular Formula | C20H31NO3 |
| Exact Mass | 333.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtzNCmTj4Cc |
|---|---|
| Name | Glutaric acid, monoamide, N-butyl-N-phenyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.230393859 u |
| Formula | C20H31NO3 |
| InChI | InChI=1S/C20H31NO3/c1-3-5-10-17-24-20(23)15-11-14-19(22)21(16-6-4-2)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3 |
| InChIKey | TURWIAHADOFJDB-UHFFFAOYSA-N |
| Molecular Weight | 333.472 g/mol |
| SMILES | CCCCN(C(CCCC(OCCCCC)=O)=O)C1=CC=CC=C1 |