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4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester
SpectraBase Compound ID ATapUdNhpaG
InChI InChI=1S/C22H17N3O5/c1-29-22(26)16-12-10-15(11-13-16)20-23-30-21(24(20)18-7-3-2-4-8-18)17-6-5-9-19(14-17)25(27)28/h2-14,21H,1H3
InChIKey UDYNLMKPVQBFCK-UHFFFAOYSA-N
Mol Weight 403.39 g/mol
Molecular Formula C22H17N3O5
Exact Mass 403.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTKPYe1NgE0
Name 4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester
Alternate Name(s) Methyl 4-[5-(3-nitrophenyl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O5
InChI InChI=1S/C22H17N3O5/c1-29-22(26)16-12-10-15(11-13-16)20-23-30-21(24(20)18-7-3-2-4-8-18)17-6-5-9-19(14-17)25(27)28/h2-14,21H,1H3
InChIKey UDYNLMKPVQBFCK-UHFFFAOYSA-N
Molecular Weight 403.394 g/mol
SMILES C=1(N(C(ON1)c1cc(N(=O)=O)ccc1)c1ccccc1)c1ccc(C(=O)OC)cc1
SPLASH splash10-0ufr-8290100000-d5be54faf2154a0ea2dc
Source of Spectrum C5-2003-1572-7
Wiley ID 1615666