| SpectraBase Compound ID | 5QVmDsPGifu |
|---|---|
| InChI | InChI=1S/C20H37NO4/c1-3-5-7-8-9-10-13-17-24-18(22)20(14-11-12-15-20)21-19(23)25-16-6-4-2/h3-17H2,1-2H3,(H,21,23) |
| InChIKey | MLIUVZCCRFMMAB-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 | I4eryCOX9fw |
|---|---|
| Name | 1-Aminocyclopentanecarboxylic acid, N-butoxycarbonyl-, nonyl 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/c1-3-5-7-8-9-10-13-17-24-18(22)20(14-11-12-15-20)21-19(23)25-16-6-4-2/h3-17H2,1-2H3,(H,21,23) |
| InChIKey | MLIUVZCCRFMMAB-UHFFFAOYSA-N |
| Molecular Weight | 355.519 g/mol |
| SMILES | CCCCOC(NC1(C(OCCCCCCCCC)=O)CCCC1)=O |