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Methyl 4-[3-(4-methoxyphenyl)-4-(thiophene-2-carbonyl)isoxazol-5-yl]benzoate
SpectraBase Compound ID 9wzmbLzUBm8
InChI InChI=1S/C23H17NO5S/c1-27-17-11-9-14(10-12-17)20-19(21(25)18-4-3-13-30-18)22(29-24-20)15-5-7-16(8-6-15)23(26)28-2/h3-13H,1-2H3
InChIKey WITYVVRTIISWBF-UHFFFAOYSA-N
Mol Weight 419.45 g/mol
Molecular Formula C23H17NO5S
Exact Mass 419.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MmdHPVwXW5
Name Methyl 4-[3-(4-methoxyphenyl)-4-(thiophene-2-carbonyl)isoxazol-5-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17NO5S
InChI InChI=1S/C23H17NO5S/c1-27-17-11-9-14(10-12-17)20-19(21(25)18-4-3-13-30-18)22(29-24-20)15-5-7-16(8-6-15)23(26)28-2/h3-13H,1-2H3
InChIKey WITYVVRTIISWBF-UHFFFAOYSA-N
Molecular Weight 419.451 g/mol
SMILES c1(c(onc1-c1ccc(cc1)OC)-c1ccc(C(=O)OC)cc1)C(c1sccc1)=O
SPLASH splash10-03xr-2930200000-e35a26738b10c045a47c
Source of Spectrum F4-40-300-5l
Wiley ID 1670205