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3-(p-Methylphenyl)-4-[5'-amino-4'-(p-methylphenylsulfonyl)isoxazol-3'-yl]sydnone
SpectraBase Compound ID 82zHDrUoeZe
InChI InChI=1S/C19H16N4O5S/c1-11-3-7-13(8-4-11)23-16(19(24)28-22-23)15-17(18(20)27-21-15)29(25,26)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2-,20,21,22,24)
InChIKey RHQILQXEMAWKLR-UHFFFAOYSA-N
Mol Weight 412.42 g/mol
Molecular Formula C19H16N4O5S
Exact Mass 412.084141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Dlvim83hFy
Name 3-(p-Methylphenyl)-4-[5'-amino-4'-(p-methylphenylsulfonyl)isoxazol-3'-yl]sydnone
Alternate Name(s) 4-{5-amino-4-[(4-methylphenyl)sulfonyl]-3-isoxazolyl}-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4O5S
InChI InChI=1S/C19H16N4O5S/c1-11-3-7-13(8-4-11)23-16(19(24)28-22-23)15-17(18(20)27-21-15)29(25,26)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2-,20,21,22,24)
InChIKey RHQILQXEMAWKLR-UHFFFAOYSA-N
Molecular Weight 412.420 g/mol
SMILES Nc1c(c(-c2[n+](noc2[O-])-c2ccc(cc2)C)no1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0f6x-9006000000-3ce30ac71931089119f0
Source of Spectrum QA-39-166-4
Wiley ID 861433