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(R/S)-N-Butyloxycarbonyl-N-methyl-(3-benzyloxy-2-chloro-4-methoxy)phenylalanine
SpectraBase Compound ID C31bxAcJ0ek
InChI InChI=1S/C23H28ClNO6/c1-23(2,3)31-22(28)25(4)17(21(26)27)13-16-11-12-18(29-5)20(19(16)24)30-14-15-9-7-6-8-10-15/h6-12,17H,13-14H2,1-5H3,(H,26,27)
InChIKey KADPUNYCAZANPB-UHFFFAOYSA-N
Mol Weight 449.93 g/mol
Molecular Formula C23H28ClNO6
Exact Mass 449.160515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ntV2gIXqqd
Name (R/S)-N-Butyloxycarbonyl-N-methyl-(3-benzyloxy-2-chloro-4-methoxy)phenylalanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28ClNO6
InChI InChI=1S/C23H28ClNO6/c1-23(2,3)31-22(28)25(4)17(21(26)27)13-16-11-12-18(29-5)20(19(16)24)30-14-15-9-7-6-8-10-15/h6-12,17H,13-14H2,1-5H3,(H,26,27)
InChIKey KADPUNYCAZANPB-UHFFFAOYSA-N
Molecular Weight 449.931 g/mol
SMILES OC(C(N(C(OC(C)(C)C)=O)C)Cc1c(c(OCc2ccccc2)c(cc1)OC)Cl)=O
SPLASH splash10-052f-9101000000-167fc6fb1d6358f2fc8a
Source of Spectrum QE-5-232-21
Synonyms (2R)-3-[3-(benzyloxy)-2-chloro-4-methoxyphenyl]-2-[(tert-butoxycarbonyl)(methyl)amino]propanoic acid
Wiley ID 843954