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Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester
SpectraBase Compound ID 68WavKwziwU
InChI InChI=1S/C24H18N4O6/c1-33-23(31)15-9-5-3-7-13(15)21(29)17-11-25-27-19(17)20-18(12-26-28-20)22(30)14-8-4-6-10-16(14)24(32)34-2/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKey NNJLLTKDUJEMFT-UHFFFAOYSA-N
Mol Weight 458.43 g/mol
Molecular Formula C24H18N4O6
Exact Mass 458.122634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZxID2vTA9k
Name Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester
Alternate Name(s) 2-[5-[4-(2-carbomethoxybenzoyl)-1H-pyrazol-5-yl]-1H-pyrazole-4-carbonyl]benzoic acid methyl ester 2-[[5-[4-[(2-methoxycarbonylphenyl)-oxomethyl]-1H-pyrazol-5-yl]-1H-pyrazol-4-yl]-oxomethyl]benzoic acid methyl ester Methyl 2-[5-[4-(2-methoxycarbonylbenzoyl)-1H-pyrazol-5-yl]-1H-pyrazole-4-carbonyl]benzoate
CAS Registry Number 16267-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N4O6
InChI InChI=1S/C24H18N4O6/c1-33-23(31)15-9-5-3-7-13(15)21(29)17-11-25-27-19(17)20-18(12-26-28-20)22(30)14-8-4-6-10-16(14)24(32)34-2/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKey NNJLLTKDUJEMFT-UHFFFAOYSA-N
Molecular Weight 458.430 g/mol
SMILES [nH]1ncc(c1-c1c(cn[nH]1)C(c1ccccc1C(=O)OC)=O)C(c1ccccc1C(=O)OC)=O
SPLASH splash10-0a4j-0345900000-01613b9fc90fa6d15c85
Source of Spectrum AD-0-1507-0
Wiley ID 1389837