| SpectraBase Compound ID | 8SPkRQeyGDQ |
|---|---|
| InChI | InChI=1S/C13H17NO3/c15-12(16)9-5-2-6-10-14-13(17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,17)(H,15,16) |
| InChIKey | LFCIOBCYMAQQBT-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 | QfxC0vmuIM |
|---|---|
| Name | 6-Benzamidohexanoic 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/c15-12(16)9-5-2-6-10-14-13(17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,17)(H,15,16) |
| InChIKey | LFCIOBCYMAQQBT-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | N(C(C1=CC=CC=C1)=O)CCCCCC(O)=O |