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L-Alanine, N-(2-chlorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID GxVAw8Wl8Y3
InChI InChI=1S/C25H40ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-25(29)21(2)27-24(28)22-18-15-16-19-23(22)26/h15-16,18-19,21H,3-14,17,20H2,1-2H3,(H,27,28)
InChIKey HHQZVTJISGQHTN-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 APYKhCPzieS
Name L-Alanine, N-(2-chlorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.269671849 u
Formula C25H40ClNO3
InChI InChI=1S/C25H40ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-25(29)21(2)27-24(28)22-18-15-16-19-23(22)26/h15-16,18-19,21H,3-14,17,20H2,1-2H3,(H,27,28)
InChIKey HHQZVTJISGQHTN-UHFFFAOYSA-N
Molecular Weight 438.052 g/mol
SMILES C1=CC=CC(=C1C(NC(C(OCCCCCCCCCCCCCCC)=O)C)=O)Cl