| SpectraBase Compound ID | 2qt15e56IpT |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-2-11(8-9-12(15)16)14-13(17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,17)(H,15,16) |
| InChIKey | NEXUYXKGGLOADG-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILomiesM3lf |
|---|---|
| Name | 4-(Benzoylamino)hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-2-11(8-9-12(15)16)14-13(17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,17)(H,15,16) |
| InChIKey | NEXUYXKGGLOADG-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | N(C(=O)C=1C=CC=CC1)C(CCC(=O)O)CC |