| SpectraBase Compound ID | L7hbpAWwHWI |
|---|---|
| InChI | InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-12-17-25-19(22)18-13-15-21(16-14-18)20(23)24-2/h18H,3-17H2,1-2H3 |
| InChIKey | RCZSYRBCWJYIFQ-UHFFFAOYSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C20H37NO4 |
| Exact Mass | 355.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Xjz4WOhSZK |
|---|---|
| Name | Isonipecotic acid, N-methoxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.272258671 u |
| Formula | C20H37NO4 |
| InChI | InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-12-17-25-19(22)18-13-15-21(16-14-18)20(23)24-2/h18H,3-17H2,1-2H3 |
| InChIKey | RCZSYRBCWJYIFQ-UHFFFAOYSA-N |
| Molecular Weight | 355.519 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCCCCCCC)=O)C(OC)=O |