| SpectraBase Compound ID | K8Qfy1md1zV |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-2-3-4-5-9-14-22-17(20)12-13-19-18(21)23-15-16-10-7-6-8-11-16/h6-8,10-11H,2-5,9,12-15H2,1H3,(H,19,21) |
| InChIKey | GXBDCFDMSUOXIV-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJKa2sfpo2F |
|---|---|
| Name | .beta.-Alanine, N-benzyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-2-3-4-5-9-14-22-17(20)12-13-19-18(21)23-15-16-10-7-6-8-11-16/h6-8,10-11H,2-5,9,12-15H2,1H3,(H,19,21) |
| InChIKey | GXBDCFDMSUOXIV-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1=CC=CC=C1COC(NCCC(OCCCCCCC)=O)=O |