| SpectraBase Compound ID | 6Zn4IjUQsbp |
|---|---|
| InChI | InChI=1S/C18H35NO3/c1-4-5-6-7-8-9-10-11-12-15-22-17(20)13-14-19-18(21)16(2)3/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey | QODWLHVQSNRPTM-UHFFFAOYSA-N |
| Mol Weight | 313.5 g/mol |
| Molecular Formula | C18H35NO3 |
| Exact Mass | 313.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjLeHQEoUhE |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.261693988 u |
| Formula | C18H35NO3 |
| InChI | InChI=1S/C18H35NO3/c1-4-5-6-7-8-9-10-11-12-15-22-17(20)13-14-19-18(21)16(2)3/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey | QODWLHVQSNRPTM-UHFFFAOYSA-N |
| SMILES | CC(C)C(NCCC(OCCCCCCCCCCC)=O)=O |