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D-Alanine, N-(2-chlorobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(2-chlorobenzoyl)-, undecyl ester
SpectraBase Compound ID FHvuI3nYLdW
InChI InChI=1S/C21H32ClNO3/c1-3-4-5-6-7-8-9-10-13-16-26-21(25)17(2)23-20(24)18-14-11-12-15-19(18)22/h11-12,14-15,17H,3-10,13,16H2,1-2H3,(H,23,24)
InChIKey KPYZULNKYBAKJC-UHFFFAOYSA-N
Mol Weight 381.9 g/mol
Molecular Formula C21H32ClNO3
Exact Mass 381.207072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKxDkdalo2u
Name D-Alanine, N-(2-chlorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.207071591 u
Formula C21H32ClNO3
InChI InChI=1S/C21H32ClNO3/c1-3-4-5-6-7-8-9-10-13-16-26-21(25)17(2)23-20(24)18-14-11-12-15-19(18)22/h11-12,14-15,17H,3-10,13,16H2,1-2H3,(H,23,24)
InChIKey KPYZULNKYBAKJC-UHFFFAOYSA-N
Molecular Weight 381.944 g/mol
SMILES C(NC(=O)C1=CC=CC=C1Cl)(C(OCCCCCCCCCCC)=O)C