| SpectraBase Compound ID | AOV2xawX5BF |
|---|---|
| InChI | InChI=1S/C15H21NO3/c1-2-3-4-8-11-13(15(18)19)16-14(17)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,16,17)(H,18,19) |
| InChIKey | YQGXRDXMBQRPDW-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C15H21NO3 |
| Exact Mass | 263.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vQy6PUHMXf |
|---|---|
| Name | dl-2-Benzamidooctanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.152143537 u |
| Formula | C15H21NO3 |
| InChI | InChI=1S/C15H21NO3/c1-2-3-4-8-11-13(15(18)19)16-14(17)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,16,17)(H,18,19) |
| InChIKey | YQGXRDXMBQRPDW-UHFFFAOYSA-N |
| Molecular Weight | 263.337 g/mol |
| SMILES | C1=C(C=CC=C1)C(NC(CCCCCC)C(=O)O)=O |