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Ethyl 5-tert-butyl-5-hydroxy-1-(3-methylbenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
SpectraBase Compound ID FHVOaTRRMAr
InChI InChI=1S/C18H24N2O4/c1-6-24-16(22)14-11-18(23,17(3,4)5)20(19-14)15(21)13-9-7-8-12(2)10-13/h7-10,23H,6,11H2,1-5H3
InChIKey SVNRMZFACILBNV-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C18H24N2O4
Exact Mass 332.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFD0PjYEoL6
Name Ethyl 5-tert-butyl-5-hydroxy-1-(3-methylbenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Alternate Name(s) 2-Pyrazolin-3-carboxylic acid, 5-tert-butyl-5-hydroxy-1-(3-methylbenzoyl)-, ethyl ester 5-tert-Butyl-5-hydroxy-1-m-toluoyl-2-pyrazoline-3-carboxylic acid ethyl ester 5-tert-Butyl-5-hydroxy-1-[(3-methylphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester Ethyl 5-tert-butyl-1-(3-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Ethyl 5-tert-butyl-5-hydroxy-1-(3-methylbenzoyl)-4H-pyrazole-3-carboxylate
CAS Registry Number 346633-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O4
InChI InChI=1S/C18H24N2O4/c1-6-24-16(22)14-11-18(23,17(3,4)5)20(19-14)15(21)13-9-7-8-12(2)10-13/h7-10,23H,6,11H2,1-5H3
InChIKey SVNRMZFACILBNV-UHFFFAOYSA-N
Molecular Weight 332.400 g/mol
SMILES OC1(N(N=C(C(=O)OCC)C1)C(c1cc(C)ccc1)=O)C(C)(C)C
SPLASH splash10-014i-9810000000-a5cb124bd34be67d5421
Source of Spectrum AD-0-2532-0
Wiley ID 1426493