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Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate
SpectraBase Compound ID IFGXLOQW20B
InChI InChI=1S/C13H12N2O4/c1-18-12(16)10-9(8-6-4-3-5-7-8)11(15-14-10)13(17)19-2/h3-7H,1-2H3,(H,14,15)
InChIKey VJOYCGRKDWRDBB-UHFFFAOYSA-N
Mol Weight 260.25 g/mol
Molecular Formula C13H12N2O4
Exact Mass 260.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaYvQHwnmLl
Name Dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate
CAS Registry Number 93041-20-4
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N2O4
InChI InChI=1S/C13H12N2O4/c1-18-12(16)10-9(8-6-4-3-5-7-8)11(15-14-10)13(17)19-2/h3-7H,1-2H3,(H,14,15)
InChIKey VJOYCGRKDWRDBB-UHFFFAOYSA-N
Molecular Weight 260.249 g/mol
SMILES [nH]1c(c(c(n1)C(=O)OC)-c1ccccc1)C(=O)OC
SPLASH splash10-03di-0090000000-b2b0a16119dca6cdce16
Source of Spectrum F4-40-804-5
Synonyms 4-Phenyl-1H-pyrazole-3,5-dicarboxylic acid Dimethyl Ester 1H-Pyrazole-3,5-dicarboxylic acid, 4-phenyl-, dimethyl ester
Wiley ID 1670411