![2-[3-(Dimethylamino)propoxy]benzoic acid](/api/spectrum/9D24O3CMNx8/structure.png?h=300&w=458 "2-[3-(Dimethylamino)propoxy]benzoic acid")
| SpectraBase Compound ID | 4MgbQ92MEf9 |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-13(2)8-5-9-16-11-7-4-3-6-10(11)12(14)15/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,15) |
| InChIKey | GQZWCCYOLBCWBF-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9D24O3CMNx8 |
|---|---|
| Name | 2-[3-(Dimethylamino)propoxy]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.120843408 u |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-13(2)8-5-9-16-11-7-4-3-6-10(11)12(14)15/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,15) |
| InChIKey | GQZWCCYOLBCWBF-UHFFFAOYSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | C1(C(=O)O)=C(OCCCN(C)C)C=CC=C1 |