| SpectraBase Compound ID | I7yPUM4CqdY |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-4-5-6-7-8-9-13-16-24-19(22)14-11-10-12-15-21-20(23)25-17-18(2)3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | KMINRYHXRUGDMG-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C20H39NO4 |
| Exact Mass | 357.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JSiHoHaoPi |
|---|---|
| Name | 6-Aminocaproic acid, N-isobutoxycarbonyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.287908736 u |
| Formula | C20H39NO4 |
| InChI | InChI=1S/C20H39NO4/c1-4-5-6-7-8-9-13-16-24-19(22)14-11-10-12-15-21-20(23)25-17-18(2)3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | KMINRYHXRUGDMG-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | C(COC(NCCCCCC(OCCCCCCCCC)=O)=O)(C)C |