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(4-Chlorophenylcarbamoyl)malonic acid diethyl ester
SpectraBase Compound ID JuJkmLPmj4j
InChI InChI=1S/C14H16ClNO5/c1-3-20-13(18)11(14(19)21-4-2)12(17)16-10-7-5-9(15)6-8-10/h5-8,11H,3-4H2,1-2H3,(H,16,17)
InChIKey MAAHIHFPRVOZEI-UHFFFAOYSA-N
Mol Weight 313.74 g/mol
Molecular Formula C14H16ClNO5
Exact Mass 313.0717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cxqdR0UB9
Name (4-Chlorophenylcarbamoyl)malonic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClNO5
InChI InChI=1S/C14H16ClNO5/c1-3-20-13(18)11(14(19)21-4-2)12(17)16-10-7-5-9(15)6-8-10/h5-8,11H,3-4H2,1-2H3,(H,16,17)
InChIKey MAAHIHFPRVOZEI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080214
Molecular Weight 313.737 g/mol
SMILES N(c1ccc(cc1)Cl)C(C(C(OCC)=O)C(=O)OCC)=O
SPLASH splash10-004i-0910000000-3ea3b9208e59c3127cb1
Source of Spectrum K-108-510-6b
Synonyms Diethyl 2-((4-chlorophenyl)carbamoyl)malonate
Wiley ID 1793856