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1-(4'-Methoxyphenyl)-5-phenyl-4-(p-nitrobenzoyl)-1,2,3-triazole
SpectraBase Compound ID 3WI4qaoFem
InChI InChI=1S/C22H16N4O4/c1-30-19-13-11-17(12-14-19)25-21(15-5-3-2-4-6-15)20(23-24-25)22(27)16-7-9-18(10-8-16)26(28)29/h2-14H,1H3
InChIKey JONIWGPJASUPNS-UHFFFAOYSA-N
Mol Weight 400.39 g/mol
Molecular Formula C22H16N4O4
Exact Mass 400.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bLwKpaMbCQ
Name 1-(4'-Methoxyphenyl)-5-phenyl-4-(p-nitrobenzoyl)-1,2,3-triazole
Alternate Name(s) [1-(4-methoxyphenyl)-5-phenyl-1H-1,2,3-triazol-4-yl](4-nitrophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4O4
InChI InChI=1S/C22H16N4O4/c1-30-19-13-11-17(12-14-19)25-21(15-5-3-2-4-6-15)20(23-24-25)22(27)16-7-9-18(10-8-16)26(28)29/h2-14H,1H3
InChIKey JONIWGPJASUPNS-UHFFFAOYSA-N
Molecular Weight 400.394 g/mol
SMILES c1(nn[n](c1-c1ccccc1)-c1ccc(cc1)OC)C(c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-002r-2932000000-acd18e08ae2d5f866017
Source of Spectrum F2-125-788-0
Wiley ID 1549801