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1-(5-phenyl-1H-pyrazol-3-yl)triazole-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4TqIvCmWKyX
InChI InChI=1S/C15H13N5O4/c1-23-14(21)12-13(15(22)24-2)20(19-18-12)11-8-10(16-17-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17)
InChIKey WLAHKXSLRIINNF-UHFFFAOYSA-N
Mol Weight 327.3 g/mol
Molecular Formula C15H13N5O4
Exact Mass 327.096754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrrEL79NRcf
Name 1-(5-phenyl-1H-pyrazol-3-yl)triazole-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-(5-phenyl-1H-pyrazol-3-yl)-1,2,3-triazole-4,5-dicarboxylate Dimethyl 1-(5-phenyl-1H-pyrazol-3-yl)triazole-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N5O4
InChI InChI=1S/C15H13N5O4/c1-23-14(21)12-13(15(22)24-2)20(19-18-12)11-8-10(16-17-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17)
InChIKey WLAHKXSLRIINNF-UHFFFAOYSA-N
Molecular Weight 327.300 g/mol
SMILES [nH]1nc(cc1-[n]1c(c(C(=O)OC)nn1)C(=O)OC)-c1ccccc1
SPLASH splash10-014i-0091000000-b0b58f82cbf26fe01f8a
Source of Spectrum KC-0-1802-11
Wiley ID 822652