| SpectraBase Compound ID | 8xRB83XPwJV |
|---|---|
| InChI | InChI=1S/C16H26N2O2/c17-12-8-3-1-2-4-9-13-18-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14,17H2,(H,18,19) |
| InChIKey | XUPJSKSDZXQOJN-UHFFFAOYSA-N |
| Mol Weight | 278.4 g/mol |
| Molecular Formula | C16H26N2O2 |
| Exact Mass | 278.199428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Gk8Tuo9wDD |
|---|---|
| Name | N-Octane-8-amino-1-aminocarboxylic acid, benzyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.199428083 u |
| Formula | C16H26N2O2 |
| InChI | InChI=1S/C16H26N2O2/c17-12-8-3-1-2-4-9-13-18-16(19)20-14-15-10-6-5-7-11-15/h5-7,10-11H,1-4,8-9,12-14,17H2,(H,18,19) |
| InChIKey | XUPJSKSDZXQOJN-UHFFFAOYSA-N |
| Molecular Weight | 278.396 g/mol |
| SMILES | C1=C(C=CC=C1)COC(=O)NCCCCCCCCN |