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L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester
SpectraBase Compound ID 4IzRXR2lrsu
InChI InChI=1S/C27H52ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-26(30)25(23-24(2)3)29(4)27(31)33-22-19-20-28/h24-25H,5-23H2,1-4H3/t25-/m0/s1
InChIKey UCHOBTQSHJJWOP-VWLOTQADSA-N
Mol Weight 490.2 g/mol
Molecular Formula C27H52ClNO4
Exact Mass 489.358487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ideuf58MitY
Name L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.358486854 u
Formula C27H52ClNO4
InChI InChI=1S/C27H52ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-26(30)25(23-24(2)3)29(4)27(31)33-22-19-20-28/h24-25H,5-23H2,1-4H3/t25-/m0/s1
InChIKey UCHOBTQSHJJWOP-VWLOTQADSA-N
Molecular Weight 490.169 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCl)(C(OCCCCCCCCCCCCCCCC)=O)[H]