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4'-Chloro-2',5'-dimethoxyacetoacetanilide

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

4'-Chloro-2',5'-dimethoxyacetoacetanilide
SpectraBase Compound ID Ajw3jhfxXqA
InChI InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)
InChIKey MOUVJGIRLPZEES-UHFFFAOYSA-N
Mol Weight 271.7 g/mol
Molecular Formula C12H14ClNO4
Exact Mass 271.061136 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID E5sWhojugV8
Name 4'-Chloro-2',5'-dimethoxyacetoacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.061135631 u
Formula C12H14ClNO4
InChI InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)
InChIKey MOUVJGIRLPZEES-UHFFFAOYSA-N
Molecular Weight 271.700 g/mol
SMILES N(C1=C(C=C(C(=C1)OC)Cl)OC)C(CC(C)=O)=O
Spectrum/Structure Validation Score (Raman) 0.951756