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4-(2,4-Dimethoxybenzylidene)-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-5-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4-(2,4-Dimethoxybenzylidene)-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-5-one
SpectraBase Compound ID 9eoDNLvs1By
InChI InChI=1S/C19H17N3O5/c1-12-17(10-13-4-9-16(26-2)11-18(13)27-3)19(23)21(20-12)14-5-7-15(8-6-14)22(24)25/h4-11H,1-3H3/b17-10+
InChIKey RXUQHUTZQLMZFB-LICLKQGHSA-N
Mol Weight 367.36 g/mol
Molecular Formula C19H17N3O5
Exact Mass 367.116821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZFfltMstas
Name 4-(2,4-Dimethoxybenzylidene)-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.116820654 u
Formula C19H17N3O5
InChI InChI=1S/C19H17N3O5/c1-12-17(10-13-4-9-16(26-2)11-18(13)27-3)19(23)21(20-12)14-5-7-15(8-6-14)22(24)25/h4-11H,1-3H3/b17-10+
InChIKey RXUQHUTZQLMZFB-LICLKQGHSA-N
Molecular Weight 367.361 g/mol
SMILES CC=1\C(C(N(C2=CC=C(C=C2)N(=O)=O)N1)=O)=C/C1=CC=C(OC)C=C1OC