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L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester

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L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester
SpectraBase Compound ID FqhVPP50pMS
InChI InChI=1S/C22H43NO4/c1-8-10-13-19(9-2)16-27-22(25)23(7)20(15-18(5)6)21(24)26-14-11-12-17(3)4/h17-20H,8-16H2,1-7H3
InChIKey PYKQTWCLZSKDRM-UHFFFAOYSA-N
Mol Weight 385.6 g/mol
Molecular Formula C22H43NO4
Exact Mass 385.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lr3a9ZZNVCl
Name L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.319208865 u
Formula C22H43NO4
InChI InChI=1S/C22H43NO4/c1-8-10-13-19(9-2)16-27-22(25)23(7)20(15-18(5)6)21(24)26-14-11-12-17(3)4/h17-20H,8-16H2,1-7H3
InChIKey PYKQTWCLZSKDRM-UHFFFAOYSA-N
Molecular Weight 385.589 g/mol
SMILES C(C)(C)CC(N(C)C(=O)OCC(CCCC)CC)C(OCCCC(C)C)=O