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4-[3-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzenecarbonitrile

View entire compound with spectra: 1 MS (GC)

4-[3-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzenecarbonitrile
SpectraBase Compound ID C9j9jWzWODv
InChI InChI=1S/C25H19N3O4/c1-31-20-13-9-17(10-14-20)22-21-23(32-28(22)19-5-3-2-4-6-19)25(30)27(24(21)29)18-11-7-16(15-26)8-12-18/h2-14,21-23H,1H3
InChIKey RPZFCVKTPLFZJU-UHFFFAOYSA-N
Mol Weight 425.44 g/mol
Molecular Formula C25H19N3O4
Exact Mass 425.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HotmkLWLyA5
Name 4-[3-(4-methoxyphenyl)-4,6-bis(oxidanylidene)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzenecarbonitrile
Alternate Name(s) 4-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazol-5-yl]benzonitrile 4-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile 4-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzonitrile 4-[4,6-diketo-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazol-5-yl]benzonitrile
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Formula C25H19N3O4
InChI InChI=1S/C25H19N3O4/c1-31-20-13-9-17(10-14-20)22-21-23(32-28(22)19-5-3-2-4-6-19)25(30)27(24(21)29)18-11-7-16(15-26)8-12-18/h2-14,21-23H,1H3
InChIKey RPZFCVKTPLFZJU-UHFFFAOYSA-N
Molecular Weight 425.444 g/mol
SMILES C12C(C(=O)N(C2=O)c2ccc(C#N)cc2)C(c2ccc(cc2)OC)N(O1)c1ccccc1
SPLASH splash10-0f96-9510000000-b7255408385956c4e446
Wiley ID 1443015