| SpectraBase Compound ID | 1GzEYaNdFB5 |
|---|---|
| InChI | InChI=1S/C17H31NO3/c1-2-3-4-5-9-14-21-16(19)12-13-18-17(20)15-10-7-6-8-11-15/h15H,2-14H2,1H3,(H,18,20) |
| InChIKey | UHAJWAQPTYMHMF-UHFFFAOYSA-N |
| Mol Weight | 297.44 g/mol |
| Molecular Formula | C17H31NO3 |
| Exact Mass | 297.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDtUBx3xhvO |
|---|---|
| Name | .beta.-Alanine, N-cyclohexylcarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.230393859 u |
| Formula | C17H31NO3 |
| InChI | InChI=1S/C17H31NO3/c1-2-3-4-5-9-14-21-16(19)12-13-18-17(20)15-10-7-6-8-11-15/h15H,2-14H2,1H3,(H,18,20) |
| InChIKey | UHAJWAQPTYMHMF-UHFFFAOYSA-N |
| SMILES | C1CCCCC1C(NCCC(OCCCCCCC)=O)=O |