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valine, N-[(2,4-dichlorophenoxy)acetyl]-, 2-oxo-2-phenylethyl ester

View entire compound with spectra: 2 NMR

valine, N-[(2,4-dichlorophenoxy)acetyl]-, 2-oxo-2-phenylethyl ester
SpectraBase Compound ID CUVE3R0FfzS
InChI InChI=1S/C21H21Cl2NO5/c1-13(2)20(21(27)29-11-17(25)14-6-4-3-5-7-14)24-19(26)12-28-18-9-8-15(22)10-16(18)23/h3-10,13,20H,11-12H2,1-2H3,(H,24,26)
InChIKey CHDZASZMWZBDKT-UHFFFAOYSA-N
Mol Weight 438.31 g/mol
Molecular Formula C21H21Cl2NO5
Exact Mass 437.079678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPnR8BxMj9y
Name Valine, N-[(2,4-dichlorophenoxy)acetyl]-, 2-oxo-2-phenylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.079678175 u
Formula C21H21Cl2NO5
InChI InChI=1S/C21H21Cl2NO5/c1-13(2)20(21(27)29-11-17(25)14-6-4-3-5-7-14)24-19(26)12-28-18-9-8-15(22)10-16(18)23/h3-10,13,20H,11-12H2,1-2H3,(H,24,26)
InChIKey CHDZASZMWZBDKT-UHFFFAOYSA-N
Molecular Weight 438.307 g/mol
SMILES N(C(C(OCC(=O)C=1C=CC=CC1)=O)C(C)C)C(=O)COC1=C(C=C(C=C1)Cl)Cl