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3-(p-Ethoxyphenyl)-4-(4'-ethoxycarbonyl-5'-phenylisoxazol-3'-yl)sydnone
SpectraBase Compound ID JF9EKUiyXGv
InChI InChI=1S/C22H19N3O6/c1-3-28-16-12-10-15(11-13-16)25-19(22(27)31-24-25)18-17(21(26)29-4-2)20(30-23-18)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKey ZPJAJDZTTDQZDN-UHFFFAOYSA-N
Mol Weight 421.41 g/mol
Molecular Formula C22H19N3O6
Exact Mass 421.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkBHa9FOOTP
Name 3-(p-Ethoxyphenyl)-4-(4'-ethoxycarbonyl-5'-phenylisoxazol-3'-yl)sydnone
Alternate Name(s) 4-[4-(ethoxycarbonyl)-5-phenyl-3-isoxazolyl]-3-(4-ethoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N3O6
InChI InChI=1S/C22H19N3O6/c1-3-28-16-12-10-15(11-13-16)25-19(22(27)31-24-25)18-17(21(26)29-4-2)20(30-23-18)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKey ZPJAJDZTTDQZDN-UHFFFAOYSA-N
Molecular Weight 421.409 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)OCC)-c1c(c(-c2ccccc2)on1)C(=O)OCC
SPLASH splash10-03di-0009000000-db415b7ef6a0d34c0fb6
Source of Spectrum QA-39-166-4
Wiley ID 861438