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2-[(2,4-Dichloroanilino)methylene]-4-methoxyacetoacetic acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

2-[(2,4-Dichloroanilino)methylene]-4-methoxyacetoacetic acid, methyl ester
SpectraBase Compound ID LEjNsubjHGN
InChI InChI=1S/C13H13Cl2NO4/c1-19-7-12(17)9(13(18)20-2)6-16-11-4-3-8(14)5-10(11)15/h3-6,16H,7H2,1-2H3
InChIKey BUPYBSPWMGNYRK-UHFFFAOYSA-N
Mol Weight 318.16 g/mol
Molecular Formula C13H13Cl2NO4
Exact Mass 317.022163 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID F0wkYxWUXLi
Name 2-[(2,4-Dichloroanilino)methylene]-4-methoxyacetoacetic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.022163299 u
Formula C13H13Cl2NO4
InChI InChI=1S/C13H13Cl2NO4/c1-19-7-12(17)9(13(18)20-2)6-16-11-4-3-8(14)5-10(11)15/h3-6,16H,7H2,1-2H3
InChIKey BUPYBSPWMGNYRK-UHFFFAOYSA-N
Molecular Weight 318.156 g/mol
SMILES N(C1=CC=C(C=C1Cl)Cl)C=C(C(OC)=O)C(COC)=O
Spectrum/Structure Validation Score (Raman) 0.70434