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3-[3-Methyl-4-(4-methyl-benzylidene)-5-oxo-4,5-dihydro-pyrazol-1-yl]-benzoic acid
SpectraBase Compound ID 7rkXkWIi8by
InChI InChI=1S/C19H16N2O3/c1-12-6-8-14(9-7-12)10-17-13(2)20-21(18(17)22)16-5-3-4-15(11-16)19(23)24/h3-11H,1-2H3,(H,23,24)/b17-10+
InChIKey GULXVTVVWSMVOU-LICLKQGHSA-N
Mol Weight 320.35 g/mol
Molecular Formula C19H16N2O3
Exact Mass 320.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dWiFX3iHQ
Name 3-[3-Methyl-4-(4-methyl-benzylidene)-5-oxo-4,5-dihydro-pyrazol-1-yl]-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O3
InChI InChI=1S/C19H16N2O3/c1-12-6-8-14(9-7-12)10-17-13(2)20-21(18(17)22)16-5-3-4-15(11-16)19(23)24/h3-11H,1-2H3,(H,23,24)/b17-10+
InChIKey GULXVTVVWSMVOU-LICLKQGHSA-N
Molecular Weight 320.348 g/mol
SMILES OC(c1cc(N2C(\C(=C\c3ccc(cc3)C)C(=N2)C)=O)ccc1)=O
SPLASH splash10-00vi-9834000000-353b642804ef403e5d7a
Synonyms 3-[(4E)-3-Methyl-4-(4-methylbenzylidene)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid 3-[(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid 3-[(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid 3-[(4E)-3-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrazol-1-yl]benzoic acid 3-[(4E)-3-methyl-5-oxo-4-(p-tolylmethylene)pyrazol-1-yl]benzoic acid 3-[(4E)-5-keto-3-methyl-4-(4-methylbenzylidene)-2-pyrazolin-1-yl]benzoic acid
Wiley ID 1454740