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3-(p-Ethoxyphenyl)-4-[5'-amino-4'-(benzoyl)isoxazol-3'-yl]sydnone
SpectraBase Compound ID 7Sdp67JKBfn
InChI InChI=1S/C20H16N4O5/c1-2-27-14-10-8-13(9-11-14)24-17(20(26)29-23-24)16-15(19(21)28-22-16)18(25)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2-,21,22,23,25,26)
InChIKey MKNFIBNJCVJNTH-UHFFFAOYSA-N
Mol Weight 392.37 g/mol
Molecular Formula C20H16N4O5
Exact Mass 392.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81OW9QboyIk
Name 3-(p-Ethoxyphenyl)-4-[5'-amino-4'-(benzoyl)isoxazol-3'-yl]sydnone
Alternate Name(s) 4-(5-amino-4-benzoyl-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 C20H16N4O5
InChI InChI=1S/C20H16N4O5/c1-2-27-14-10-8-13(9-11-14)24-17(20(26)29-23-24)16-15(19(21)28-22-16)18(25)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2-,21,22,23,25,26)
InChIKey MKNFIBNJCVJNTH-UHFFFAOYSA-N
Molecular Weight 392.371 g/mol
SMILES Nc1c(c(-c2[n+](noc2[O-])-c2ccc(cc2)OCC)no1)C(=O)c1ccccc1
SPLASH splash10-0006-9000000000-5a2eeee08d2c7737c911
Source of Spectrum QA-39-167-4
Wiley ID 861423