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

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-chlorobenzoyl)-, dodecyl ester
SpectraBase Compound ID LrLjUIJIuzV
InChI InChI=1S/C25H40ClNO3/c1-4-5-6-7-8-9-10-11-12-15-18-30-25(29)23(19-20(2)3)27-24(28)21-16-13-14-17-22(21)26/h13-14,16-17,20,23H,4-12,15,18-19H2,1-3H3,(H,27,28)
InChIKey GBRQZVZDMXQCSI-UHFFFAOYSA-N
Mol Weight 438.1 g/mol
Molecular Formula C25H40ClNO3
Exact Mass 437.269672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Mgk6Sf2eSC
Name L-Leucine, N-(2-chlorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.269671849 u
Formula C25H40ClNO3
InChI InChI=1S/C25H40ClNO3/c1-4-5-6-7-8-9-10-11-12-15-18-30-25(29)23(19-20(2)3)27-24(28)21-16-13-14-17-22(21)26/h13-14,16-17,20,23H,4-12,15,18-19H2,1-3H3,(H,27,28)
InChIKey GBRQZVZDMXQCSI-UHFFFAOYSA-N
Molecular Weight 438.052 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCC)=O)CC(C)C)=O)Cl