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4-(4-Carboxyphenyl)-3,6-dimethyl-N-phenylisoxazolo[5,4-b]pyridine-5-carboxamide
SpectraBase Compound ID IwATI0eP6dy
InChI InChI=1S/C22H17N3O4/c1-12-17(20(26)24-16-6-4-3-5-7-16)19(18-13(2)25-29-21(18)23-12)14-8-10-15(11-9-14)22(27)28/h3-11H,1-2H3,(H,24,26)(H,27,28)
InChIKey LVCLAPGIMFKCME-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C22H17N3O4
Exact Mass 387.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4b2MWNangFi
Name 4-(4-Carboxyphenyl)-3,6-dimethyl-N-phenylisoxazolo[5,4-b]pyridine-5-carboxamide
Alternate Name(s) 4-(3,6-dimethyl-5-(phenylcarbamoyl)isoxazolo[5,4-b]pyridin-4-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O4
InChI InChI=1S/C22H17N3O4/c1-12-17(20(26)24-16-6-4-3-5-7-16)19(18-13(2)25-29-21(18)23-12)14-8-10-15(11-9-14)22(27)28/h3-11H,1-2H3,(H,24,26)(H,27,28)
InChIKey LVCLAPGIMFKCME-UHFFFAOYSA-N
Molecular Weight 387.395 g/mol
SMILES OC(c1ccc(-c2c(C(Nc3ccccc3)=O)c(nc3onc(c23)C)C)cc1)=O
SPLASH splash10-0udu-0579000000-14953080c8a40341da8c
Source of Spectrum HC-50-1171-4d
Wiley ID 1739925