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3-Phenyl-4-(4'-ethoxycarbonyl-5'-phenylisoxazol-3'-yl)sydnone
SpectraBase Compound ID K2mt0uLldAX
InChI InChI=1S/C20H15N3O5/c1-2-26-19(24)15-16(21-27-18(15)13-9-5-3-6-10-13)17-20(25)28-22-23(17)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey ZAKYDNMOYHXPMQ-UHFFFAOYSA-N
Mol Weight 377.36 g/mol
Molecular Formula C20H15N3O5
Exact Mass 377.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71llTaiyC4g
Name 3-Phenyl-4-(4'-ethoxycarbonyl-5'-phenylisoxazol-3'-yl)sydnone
Alternate Name(s) 4-[4-(ethoxycarbonyl)-5-phenyl-3-isoxazolyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
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Formula C20H15N3O5
InChI InChI=1S/C20H15N3O5/c1-2-26-19(24)15-16(21-27-18(15)13-9-5-3-6-10-13)17-20(25)28-22-23(17)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey ZAKYDNMOYHXPMQ-UHFFFAOYSA-N
Molecular Weight 377.356 g/mol
SMILES c1([n+](noc1[O-])-c1ccccc1)-c1c(c(-c2ccccc2)on1)C(=O)OCC
SPLASH splash10-014i-0009000000-6921b252f9c877afd6d1
Source of Spectrum QA-39-165-4
Wiley ID 861440