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3-Phenyl-4-[5'-amino-4'-(benzoyl)isoxazol-3'-yl]sydnone
SpectraBase Compound ID SEPByKPram
InChI InChI=1S/C18H12N4O4/c19-17-13(16(23)11-7-3-1-4-8-11)14(20-25-17)15-18(24)26-21-22(15)12-9-5-2-6-10-12/h1-10H,(H2-,19,20,21,23,24)
InChIKey LIPIHWJQOOCFNH-UHFFFAOYSA-N
Mol Weight 348.32 g/mol
Molecular Formula C18H12N4O4
Exact Mass 348.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iZH4zkrAk4
Name 3-Phenyl-4-[5'-amino-4'-(benzoyl)isoxazol-3'-yl]sydnone
Alternate Name(s) 4-(5-amino-4-benzoyl-3-isoxazolyl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N4O4
InChI InChI=1S/C18H12N4O4/c19-17-13(16(23)11-7-3-1-4-8-11)14(20-25-17)15-18(24)26-21-22(15)12-9-5-2-6-10-12/h1-10H,(H2-,19,20,21,23,24)
InChIKey LIPIHWJQOOCFNH-UHFFFAOYSA-N
Molecular Weight 348.318 g/mol
SMILES Nc1c(c(-c2[n+](noc2[O-])-c2ccccc2)no1)C(=O)c1ccccc1
SPLASH splash10-004i-9001000000-df4e4999b9fc8e86a3df
Source of Spectrum QA-39-167-4
Wiley ID 861425