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L-Leucine, N-(2-furoyl)-, hexadecyl ester

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L-Leucine, N-(2-furoyl)-, hexadecyl ester
SpectraBase Compound ID 2MBfKPCpTwy
InChI InChI=1S/C27H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-27(30)24(22-23(2)3)28-26(29)25-19-18-21-31-25/h18-19,21,23-24H,4-17,20,22H2,1-3H3,(H,28,29)
InChIKey PQLGMJFMOYEGKQ-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H47NO4
Exact Mass 449.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14Efnng20B2
Name L-Leucine, N-(2-furoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.350508993 u
Formula C27H47NO4
InChI InChI=1S/C27H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-27(30)24(22-23(2)3)28-26(29)25-19-18-21-31-25/h18-19,21,23-24H,4-17,20,22H2,1-3H3,(H,28,29)
InChIKey PQLGMJFMOYEGKQ-UHFFFAOYSA-N
Molecular Weight 449.676 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(NC(C=1OC=CC1)=O)CC(C)C)=O