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4',4''-Biacetoacetanilide

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4',4''-Biacetoacetanilide
SpectraBase Compound ID 9WXtGjSgzGk
InChI InChI=1S/C20H20N2O4/c1-13(23)11-19(25)21-17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-20(26)12-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey DVOUVHJTEAZCHS-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9sfRwIHyCJ0
Name 4',4''-Biacetoacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.142307128 u
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-13(23)11-19(25)21-17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-20(26)12-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey DVOUVHJTEAZCHS-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
SMILES N(C1=CC=C(C=2C=CC(=CC2)NC(CC(C)=O)=O)C=C1)C(CC(C)=O)=O
Spectrum/Structure Validation Score (Raman) 0.894193