| SpectraBase Compound ID | JQRYnJzaZDE |
|---|---|
| InChI | InChI=1S/C17H27NO2/c1-3-5-9-13-18-16-12-8-7-11-15(16)17(19)20-14-10-6-4-2/h7-8,11-12,18H,3-6,9-10,13-14H2,1-2H3 |
| InChIKey | WFTOPLVPNFIBQN-UHFFFAOYSA-N |
| Mol Weight | 277.41 g/mol |
| Molecular Formula | C17H27NO2 |
| Exact Mass | 277.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fu9KmOW9jfb |
|---|---|
| Name | Benzoic acid, 2-pentylamino-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.204179111 u |
| Formula | C17H27NO2 |
| InChI | InChI=1S/C17H27NO2/c1-3-5-9-13-18-16-12-8-7-11-15(16)17(19)20-14-10-6-4-2/h7-8,11-12,18H,3-6,9-10,13-14H2,1-2H3 |
| InChIKey | WFTOPLVPNFIBQN-UHFFFAOYSA-N |
| Molecular Weight | 277.408 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCC)=O)NCCCCC |