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4-{4-[(2-fluorophenyl)methoxy]phenyl}-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one
SpectraBase Compound ID XgLH11rTlq
InChI InChI=1S/C26H21FN2O4/c1-31-19-10-8-17(9-11-19)25-24-21(14-23(30)33-26(24)29-28-25)16-6-12-20(13-7-16)32-15-18-4-2-3-5-22(18)27/h2-13,21H,14-15H2,1H3,(H,28,29)
InChIKey NIUNBFKQTHCVKG-UHFFFAOYSA-N
Mol Weight 444.46 g/mol
Molecular Formula C26H21FN2O4
Exact Mass 444.148535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0bsoWhhFpN
Name 4-{4-[(2-fluorophenyl)methoxy]phenyl}-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one
Alternate Name(s) Pyrano[2,3-c]pyrazol-6(1H)-one, 4-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-3-(4-methoxyphenyl)- 4-[4-[(2-fluorophenyl)methoxy]phenyl]-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
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Formula C26H21FN2O4
InChI InChI=1S/C26H21FN2O4/c1-31-19-10-8-17(9-11-19)25-24-21(14-23(30)33-26(24)29-28-25)16-6-12-20(13-7-16)32-15-18-4-2-3-5-22(18)27/h2-13,21H,14-15H2,1H3,(H,28,29)
InChIKey NIUNBFKQTHCVKG-UHFFFAOYSA-N
Molecular Weight 444.462 g/mol
SMILES [nH]1nc(c2c1OC(CC2c1ccc(OCc2c(cccc2)F)cc1)=O)-c1ccc(cc1)OC
SPLASH splash10-0a4i-3910200000-95f8f9b56609904e47e6
Source of Spectrum IY-2-5061-5
Wiley ID 1658598