| SpectraBase Compound ID | 1aBKFDEoG07 |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-3-9-14-12-7-5-11(6-8-12)13(15)16-10-4-2/h5-8,14H,3-4,9-10H2,1-2H3 |
| InChIKey | UFDQTONASDVNAF-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAbWQLqVxxx |
|---|---|
| Name | Benzoic acid, 4-propylamino-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.141578854 u |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c1-3-9-14-12-7-5-11(6-8-12)13(15)16-10-4-2/h5-8,14H,3-4,9-10H2,1-2H3 |
| InChIKey | UFDQTONASDVNAF-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCC)=O)NCCC |