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L-Norleucyl-L-norleucine, N-allyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

L-Norleucyl-L-norleucine, N-allyloxycarbonyl-, hexyl ester
SpectraBase Compound ID G6tSSUq1o76
InChI InChI=1S/C22H40N2O5/c1-5-9-12-13-17-28-21(26)19(15-11-7-3)23-20(25)18(14-10-6-2)24-22(27)29-16-8-4/h8,18-19H,4-7,9-17H2,1-3H3,(H,23,25)(H,24,27)
InChIKey CJORSFJUPCXGMB-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C22H40N2O5
Exact Mass 412.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwkS1IJ8SWr
Name L-Norleucyl-L-norleucine, N-allyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.293722391 u
Formula C22H40N2O5
InChI InChI=1S/C22H40N2O5/c1-5-9-12-13-17-28-21(26)19(15-11-7-3)23-20(25)18(14-10-6-2)24-22(27)29-16-8-4/h8,18-19H,4-7,9-17H2,1-3H3,(H,23,25)(H,24,27)
InChIKey CJORSFJUPCXGMB-UHFFFAOYSA-N
Molecular Weight 412.571 g/mol
SMILES C(OC(C(NC(C(NC(OCC=C)=O)CCCC)=O)CCCC)=O)CCCCC