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3-(p-Methylphenyl)-4-[5'-amino-4'-(benzoyl)isoxazol-3'-yl]sydnone
SpectraBase Compound ID 5U07wYg1icr
InChI InChI=1S/C19H14N4O4/c1-11-7-9-13(10-8-11)23-16(19(25)27-22-23)15-14(18(20)26-21-15)17(24)12-5-3-2-4-6-12/h2-10H,1H3,(H2-,20,21,22,24,25)
InChIKey RQGDTXMIOQIYNK-UHFFFAOYSA-N
Mol Weight 362.35 g/mol
Molecular Formula C19H14N4O4
Exact Mass 362.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Q95Xy2yUdF
Name 3-(p-Methylphenyl)-4-[5'-amino-4'-(benzoyl)isoxazol-3'-yl]sydnone
Alternate Name(s) 4-(5-amino-4-benzoyl-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 C19H14N4O4
InChI InChI=1S/C19H14N4O4/c1-11-7-9-13(10-8-11)23-16(19(25)27-22-23)15-14(18(20)26-21-15)17(24)12-5-3-2-4-6-12/h2-10H,1H3,(H2-,20,21,22,24,25)
InChIKey RQGDTXMIOQIYNK-UHFFFAOYSA-N
Molecular Weight 362.345 g/mol
SMILES Nc1c(c(-c2[n+](noc2[O-])-c2ccc(cc2)C)no1)C(=O)c1ccccc1
SPLASH splash10-0a4l-8904000000-fcead29e3d1f78569f97
Source of Spectrum QA-39-167-4
Wiley ID 861424