| SpectraBase Compound ID | IzOFPMNAZSv |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H2,8,9) |
| InChIKey | PSHNBYJXNBSZHI-UHFFFAOYSA-N |
| Mol Weight | 159.18 g/mol |
| Molecular Formula | C7H13NO3 |
| Exact Mass | 159.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DHwvLZAQm8P |
|---|---|
| Name | 6-Amino-6-keto-hexanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.089543280 u |
| Formula | C7H13NO3 |
| InChI | InChI=1S/C7H13NO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H2,8,9) |
| InChIKey | PSHNBYJXNBSZHI-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | C(=O)(N)CCCCC(=O)OC |