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L-Alanine, N-(2-chlorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-chlorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID Hl2it5ci7CR
InChI InChI=1S/C27H44ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-27(31)23(2)29-26(30)24-20-17-18-21-25(24)28/h17-18,20-21,23H,3-16,19,22H2,1-2H3,(H,29,30)
InChIKey DSWFDGCCCVYANX-UHFFFAOYSA-N
Mol Weight 466.1 g/mol
Molecular Formula C27H44ClNO3
Exact Mass 465.300972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9q7kFFVHXA
Name L-Alanine, N-(2-chlorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 465.300971978 u
Formula C27H44ClNO3
InChI InChI=1S/C27H44ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-27(31)23(2)29-26(30)24-20-17-18-21-25(24)28/h17-18,20-21,23H,3-16,19,22H2,1-2H3,(H,29,30)
InChIKey DSWFDGCCCVYANX-UHFFFAOYSA-N
Molecular Weight 466.106 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCCCC)=O)C)=O)Cl