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3-(p-methylphenyl)-4-(2',2'-dimethyl-4'-oxobenzo[d]oxazol-7'-yl)sydnone
SpectraBase Compound ID 6hJZczgoEHs
InChI InChI=1S/C18H17N3O4/c1-10-4-6-11(7-5-10)21-16(17(23)25-20-21)15-14-12(22)8-18(2,3)9-13(14)24-19-15/h4-7H,8-9H2,1-3H3
InChIKey VTACSYNJNIIFLG-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uGZ2m6ZSM5
Name 3-(p-methylphenyl)-4-(2',2'-dimethyl-4'-oxobenzo[d]oxazol-7'-yl)sydnone
Alternate Name(s) 4-(6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1,2-benzisoxazol-3-yl)-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate
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Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-10-4-6-11(7-5-10)21-16(17(23)25-20-21)15-14-12(22)8-18(2,3)9-13(14)24-19-15/h4-7H,8-9H2,1-3H3
InChIKey VTACSYNJNIIFLG-UHFFFAOYSA-N
Molecular Weight 339.351 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)C)-c1c2c(CC(CC2=O)(C)C)on1
SPLASH splash10-053r-0095000000-2299dad2b09f5063a22c
Source of Spectrum QA-37-77-5
Wiley ID 861131