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L-Leucine, N-(2-chlorobenzoyl)-, pentadecyl ester

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L-Leucine, N-(2-chlorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID AVwEsVhAwX0
InChI InChI=1S/C28H46ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-28(32)26(22-23(2)3)30-27(31)24-19-16-17-20-25(24)29/h16-17,19-20,23,26H,4-15,18,21-22H2,1-3H3,(H,30,31)
InChIKey ALZGDZPMDYDBKG-UHFFFAOYSA-N
Mol Weight 480.1 g/mol
Molecular Formula C28H46ClNO3
Exact Mass 479.316622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPaYP3sVQoe
Name L-Leucine, N-(2-chlorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 479.316622042 u
Formula C28H46ClNO3
InChI InChI=1S/C28H46ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-28(32)26(22-23(2)3)30-27(31)24-19-16-17-20-25(24)29/h16-17,19-20,23,26H,4-15,18,21-22H2,1-3H3,(H,30,31)
InChIKey ALZGDZPMDYDBKG-UHFFFAOYSA-N
Molecular Weight 480.133 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCC)=O)CC(C)C)=O)Cl