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1-(p-Toluoyl)-4,5-dihydro-4,4-dimethyl-5-(acetoxymethylene)-1H-pyrazole
SpectraBase Compound ID JVjdpKEL8EZ
InChI InChI=1S/C16H18N2O3/c1-11-5-7-13(8-6-11)15(20)18-14(9-21-12(2)19)16(3,4)10-17-18/h5-10H,1-4H3/b14-9+
InChIKey DRIVGBHXHSWFAB-NTEUORMPSA-N
Mol Weight 286.33 g/mol
Molecular Formula C16H18N2O3
Exact Mass 286.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyhE5MaOcuL
Name 1-(p-Toluoyl)-4,5-dihydro-4,4-dimethyl-5-(acetoxymethylene)-1H-pyrazole
Alternate Name(s) (E)-[4,4-dimethyl-2-(4-methylbenzoyl)-2,4-dihydro-3H-pyrazol-3-ylidene]methyl acetate 4,5-Dihydro-4,4-dimethyl-5-(acetoxymethylene)-1-[(4'-methylphenyl)carbonyl]-1H-pyrazole Acetic acid[(E)-(4,4-dimethyl-2-p-toluoyl-2-pyrazolin-3-ylidene)methyl]ester Acetic acid[(E)-[4,4-dimethyl-2-[(4-methylphenyl)-oxomethyl]-3-pyrazolylidene]methyl]ester [(E)-[4,4-dimethyl-2-(4-methylbenzoyl)pyrazol-3-ylidene]methyl]acetate [(E)-[4,4-dimethyl-2-(4-methylphenyl)carbonyl-pyrazol-3-ylidene]methyl]ethanoate Acetic acid [(E)-[4,4-dimethyl-2-[(4-methylphenyl)-oxomethyl]-3-pyrazolylidene]methyl] ester [(E)-[4,4-dimethyl-2-(4-methylbenzoyl)pyrazol-3-ylidene]methyl] acetate [(E)-[4,4-dimethyl-2-(4-methylphenyl)carbonyl-pyrazol-3-ylidene]methyl] ethanoate
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Formula C16H18N2O3
InChI InChI=1S/C16H18N2O3/c1-11-5-7-13(8-6-11)15(20)18-14(9-21-12(2)19)16(3,4)10-17-18/h5-10H,1-4H3/b14-9+
InChIKey DRIVGBHXHSWFAB-NTEUORMPSA-N
Molecular Weight 286.331 g/mol
SMILES C1(\C(N(N=C1)C(c1ccc(cc1)C)=O)=C/OC(=O)C)(C)C
SPLASH splash10-00kf-9600000000-f8329c580e08de1777ab
Source of Spectrum Y-28-51-7
Wiley ID 1289857