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4-[5-(1,3-benzodioxol-5-yl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester
SpectraBase Compound ID Jdrs4sCwXia
InChI InChI=1S/C23H18N2O5/c1-27-23(26)16-9-7-15(8-10-16)21-24-30-22(25(21)18-5-3-2-4-6-18)17-11-12-19-20(13-17)29-14-28-19/h2-13,22H,14H2,1H3
InChIKey AKAIKBIQWODGPE-UHFFFAOYSA-N
Mol Weight 402.41 g/mol
Molecular Formula C23H18N2O5
Exact Mass 402.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMsh2xaHIP7
Name 4-[5-(1,3-benzodioxol-5-yl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester
Alternate Name(s) Methyl 4-[5-(1,3-benzodioxol-5-yl)-4-phenyl-5H-1,2,4-oxadiazol-3-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18N2O5
InChI InChI=1S/C23H18N2O5/c1-27-23(26)16-9-7-15(8-10-16)21-24-30-22(25(21)18-5-3-2-4-6-18)17-11-12-19-20(13-17)29-14-28-19/h2-13,22H,14H2,1H3
InChIKey AKAIKBIQWODGPE-UHFFFAOYSA-N
Molecular Weight 402.406 g/mol
SMILES C=1(N(C(ON1)c1cc2OCOc2cc1)c1ccccc1)c1ccc(C(=O)OC)cc1
SPLASH splash10-0umi-5190100000-5c07284260590a8e0616
Source of Spectrum C5-2003-1573-7
Wiley ID 1615665