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3-(5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yloxy)biphenyl-2-carboxylic acid
SpectraBase Compound ID 5ko27eWUAAv
InChI InChI=1S/C20H16N4O3/c1-12-11-17-22-20(23-24(17)13(2)21-12)27-16-10-6-9-15(18(16)19(25)26)14-7-4-3-5-8-14/h3-11H,1-2H3,(H,25,26)
InChIKey HBHBTUDHUCFSQL-UHFFFAOYSA-N
Mol Weight 360.37 g/mol
Molecular Formula C20H16N4O3
Exact Mass 360.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Afa9VMPEi1
Name 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yloxy)biphenyl-2-carboxylic acid
Alternate Name(s) 3-((5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)oxy)-[1,1'-biphenyl]-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N4O3
InChI InChI=1S/C20H16N4O3/c1-12-11-17-22-20(23-24(17)13(2)21-12)27-16-10-6-9-15(18(16)19(25)26)14-7-4-3-5-8-14/h3-11H,1-2H3,(H,25,26)
InChIKey HBHBTUDHUCFSQL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800103
Molecular Weight 360.373 g/mol
SMILES OC(=O)c1c(cccc1Oc1n[n]2C(=NC(=Cc2n1)C)C)-c1ccccc1
SPLASH splash10-08fr-0973000000-f4a4fa69d216de5e3207
Source of Spectrum CMC-3-1203/SM2-2
Wiley ID 1771493