| SpectraBase Compound ID | 5mwlciFucvb |
|---|---|
| InChI | InChI=1S/C21H37NO4/c1-3-5-6-7-8-9-10-11-12-18-25-20(23)19-13-15-22(16-14-19)21(24)26-17-4-2/h4,19H,2-3,5-18H2,1H3 |
| InChIKey | UXPBGZKBUVIOTE-UHFFFAOYSA-N |
| Mol Weight | 367.5 g/mol |
| Molecular Formula | C21H37NO4 |
| Exact Mass | 367.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWkhWCgEJPs |
|---|---|
| Name | Isonipecotic acid, N-allyloxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.272258671 u |
| Formula | C21H37NO4 |
| InChI | InChI=1S/C21H37NO4/c1-3-5-6-7-8-9-10-11-12-18-25-20(23)19-13-15-22(16-14-19)21(24)26-17-4-2/h4,19H,2-3,5-18H2,1H3 |
| InChIKey | UXPBGZKBUVIOTE-UHFFFAOYSA-N |
| Molecular Weight | 367.530 g/mol |
| SMILES | C=CCOC(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O |