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

View entire compound with spectra: 1 NMR

L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl ester
SpectraBase Compound ID 1IiYng9SXwJ
InChI InChI=1S/C24H46ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-29-23(27)22(20-21(2)3)26(4)24(28)30-19-16-17-25/h21-22H,5-20H2,1-4H3/t22-/m0/s1
InChIKey XYNSLFIABUIBDY-QFIPXVFZSA-N
Mol Weight 448.1 g/mol
Molecular Formula C24H46ClNO4
Exact Mass 447.311537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rs23Ey8ABU
Name L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.311536661 u
Formula C24H46ClNO4
InChI InChI=1S/C24H46ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-29-23(27)22(20-21(2)3)26(4)24(28)30-19-16-17-25/h21-22H,5-20H2,1-4H3/t22-/m0/s1
InChIKey XYNSLFIABUIBDY-QFIPXVFZSA-N
Molecular Weight 448.088 g/mol
SMILES C(C)(C)C[C@](N(C)C(=O)OCCCCl)(C(OCCCCCCCCCCCCC)=O)[H]