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3-(p-Methylphenyl)-4-[5'-(tert-butyl)-4'-cyanoisoxazol-3'-yl]sydnone
SpectraBase Compound ID Hgcne5Edwd2
InChI InChI=1S/C17H16N4O3/c1-10-5-7-11(8-6-10)21-14(16(22)24-20-21)13-12(9-18)15(23-19-13)17(2,3)4/h5-8H,1-4H3
InChIKey GGHDBYVNKBLJFG-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C17H16N4O3
Exact Mass 324.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ERwuKZ2g3c
Name 3-(p-Methylphenyl)-4-[5'-(tert-butyl)-4'-cyanoisoxazol-3'-yl]sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N4O3
InChI InChI=1S/C17H16N4O3/c1-10-5-7-11(8-6-10)21-14(16(22)24-20-21)13-12(9-18)15(23-19-13)17(2,3)4/h5-8H,1-4H3
InChIKey GGHDBYVNKBLJFG-UHFFFAOYSA-N
Molecular Weight 324.340 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)C)-c1c(c(C(C)(C)C)on1)C#N
SPLASH splash10-014i-2090000000-bf98415cd8d83f6816cc
Source of Spectrum QA-39-167-4
Synonyms 4-(5-tert-butyl-4-cyano-3-isoxazolyl)-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 861427