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6-Amino-3-(4-butoxyphenyl)-4-[4-(2-fluorobenzyl)oxyphenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID LZxfUMbWmKB
InChI InChI=1S/C30H27FN4O3/c1-2-3-16-36-22-14-10-20(11-15-22)28-27-26(24(17-32)29(33)38-30(27)35-34-28)19-8-12-23(13-9-19)37-18-21-6-4-5-7-25(21)31/h4-15,26H,2-3,16,18,33H2,1H3,(H,34,35)
InChIKey KQKUGNXCKDWUOG-UHFFFAOYSA-N
Mol Weight 510.57 g/mol
Molecular Formula C30H27FN4O3
Exact Mass 510.206719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dPNVIgkGk7
Name 6-Amino-3-(4-butoxyphenyl)-4-[4-(2-fluorobenzyl)oxyphenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Alternate Name(s) 6-Amino-3-(4-butoxyphenyl)-4-[4-[(2-fluorophenyl)methoxy]phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-Azanyl-3-(4-butoxyphenyl)-4-[4-[(2-fluorophenyl)methoxy]phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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Formula C30H27FN4O3
InChI InChI=1S/C30H27FN4O3/c1-2-3-16-36-22-14-10-20(11-15-22)28-27-26(24(17-32)29(33)38-30(27)35-34-28)19-8-12-23(13-9-19)37-18-21-6-4-5-7-25(21)31/h4-15,26H,2-3,16,18,33H2,1H3,(H,34,35)
InChIKey KQKUGNXCKDWUOG-UHFFFAOYSA-N
Molecular Weight 510.569 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2-c1ccc(cc1)OCCCC)c1ccc(OCc2c(F)cccc2)cc1)C#N
SPLASH splash10-0a4i-7910000000-e94655ad664ef4dadeaa
Wiley ID 1457942