| SpectraBase Compound ID | 7PapaDva2Mh |
|---|---|
| InChI | InChI=1S/C15H21NO4/c17-14(10-6-1-2-7-11-15(18)19)16-20-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)(H,18,19) |
| InChIKey | RHXABKLEBVKAQJ-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SzAGyRE5zB |
|---|---|
| Name | 8-(Benzoxyamino)-8-keto-caprylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c17-14(10-6-1-2-7-11-15(18)19)16-20-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)(H,18,19) |
| InChIKey | RHXABKLEBVKAQJ-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C(=O)(NOCC=1C=CC=CC1)CCCCCCC(=O)O |