| SpectraBase Compound ID | CKIKzwZHO46 |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-4-7-9-11-12-13-14-15-17-20-27-22(25)21(18-16-10-8-5-2)24-23(26)28-19-6-3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey | IZAZYNFNJYSYCO-UHFFFAOYSA-N |
| Mol Weight | 399.6 g/mol |
| Molecular Formula | C23H45NO4 |
| Exact Mass | 399.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iPb5Mn01wU |
|---|---|
| Name | 2-Aminocaprylic acid, N-propoxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.334858929 u |
| Formula | C23H45NO4 |
| InChI | InChI=1S/C23H45NO4/c1-4-7-9-11-12-13-14-15-17-20-27-22(25)21(18-16-10-8-5-2)24-23(26)28-19-6-3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey | IZAZYNFNJYSYCO-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | CCCCCCC(NC(OCCC)=O)C(=O)OCCCCCCCCCCC |