| SpectraBase Compound ID | FfFj2RfW2jG |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-7-8-9-10-11-12-13-14-15-16-27-21(25)20(17-19(2)3)24-22(26)28-18-23(4,5)6/h19-20H,7-18H2,1-6H3,(H,24,26) |
| InChIKey | FROKIYZWKGHCFR-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 | TVMrj9JWBG |
|---|---|
| Name | L-Leucine, N-neopentyloxycarbonyl-, 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/c1-7-8-9-10-11-12-13-14-15-16-27-21(25)20(17-19(2)3)24-22(26)28-18-23(4,5)6/h19-20H,7-18H2,1-6H3,(H,24,26) |
| InChIKey | FROKIYZWKGHCFR-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | CC(COC(NC(C(OCCCCCCCCCCC)=O)CC(C)C)=O)(C)C |