| SpectraBase Compound ID | KFV5tDYmCSB |
|---|---|
| InChI | InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(18)8-9-15(16)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3 |
| InChIKey | ZLMQPGUWYWFPEG-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C17H28N2O3 |
| Exact Mass | 308.209993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BJH4NbSTdk |
|---|---|
| Name | Benzoic acid, 4-amino-2-butoxy-, 2-(diethylamino)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.209992767 u |
| Formula | C17H28N2O3 |
| InChI | InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(18)8-9-15(16)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3 |
| InChIKey | ZLMQPGUWYWFPEG-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC=C(N)C1)C(OCCN(CC)CC)=O)OCCCC |