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4-[5-(4-Methoxyphenyl)benzo[d]isoxazol-3-yl]benzoic acid
SpectraBase Compound ID 8JucZGmQNkm
InChI InChI=1S/C21H15NO4/c1-25-17-9-6-13(7-10-17)16-8-11-19-18(12-16)20(22-26-19)14-2-4-15(5-3-14)21(23)24/h2-12H,1H3,(H,23,24)
InChIKey PBNRMZKWPJWCFW-UHFFFAOYSA-N
Mol Weight 345.35 g/mol
Molecular Formula C21H15NO4
Exact Mass 345.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9O8WuXYLqo
Name 4-[5-(4-Methoxyphenyl)benzo[d]isoxazol-3-yl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NO4
InChI InChI=1S/C21H15NO4/c1-25-17-9-6-13(7-10-17)16-8-11-19-18(12-16)20(22-26-19)14-2-4-15(5-3-14)21(23)24/h2-12H,1H3,(H,23,24)
InChIKey PBNRMZKWPJWCFW-UHFFFAOYSA-N
Molecular Weight 345.354 g/mol
SMILES OC(c1ccc(cc1)-c1noc2c1cc(cc2)-c1ccc(cc1)OC)=O
SPLASH splash10-0gdi-9302000000-e6a208082134449dc9f2
Source of Spectrum QC-24-1460-23
Synonyms 4-[5-(4-methoxyphenyl)-1,2-benzisoxazol-3-yl]benzoic acid
Wiley ID 1584239