| SpectraBase Compound ID | IMb7bkFQsuC |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-4-9-15(10-5-2)13-8-6-7-12(11-13)14(16)17-3/h6-8,11H,4-5,9-10H2,1-3H3 |
| InChIKey | BJIXYJKGDJINFF-UHFFFAOYSA-N |
| Mol Weight | 235.33 g/mol |
| Molecular Formula | C14H21NO2 |
| Exact Mass | 235.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqBGu52L6zE |
|---|---|
| Name | Benzoic acid, 3-(dipropylamino)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.157228918 u |
| Formula | C14H21NO2 |
| InChI | InChI=1S/C14H21NO2/c1-4-9-15(10-5-2)13-8-6-7-12(11-13)14(16)17-3/h6-8,11H,4-5,9-10H2,1-3H3 |
| InChIKey | BJIXYJKGDJINFF-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | C1=C(C=CC=C1C(OC)=O)N(CCC)CCC |