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6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-p-phenetyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 5riOVY6Ulvm
InChI InChI=1S/C28H22ClFN4O3/c1-2-35-18-12-8-17(9-13-18)26-25-24(20(14-31)27(32)37-28(25)34-33-26)16-6-10-19(11-7-16)36-15-21-22(29)4-3-5-23(21)30/h3-13,24H,2,15,32H2,1H3,(H,33,34)
InChIKey KVVOFBZOTPSCHO-UHFFFAOYSA-N
Mol Weight 516.96 g/mol
Molecular Formula C28H22ClFN4O3
Exact Mass 516.136446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8thlQD4T6Ai
Name 6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-p-phenetyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Alternate Name(s) 6-Amino-4-[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-Azanyl-4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]phenyl]-3-(4-ethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22ClFN4O3
InChI InChI=1S/C28H22ClFN4O3/c1-2-35-18-12-8-17(9-13-18)26-25-24(20(14-31)27(32)37-28(25)34-33-26)16-6-10-19(11-7-16)36-15-21-22(29)4-3-5-23(21)30/h3-13,24H,2,15,32H2,1H3,(H,33,34)
InChIKey KVVOFBZOTPSCHO-UHFFFAOYSA-N
Molecular Weight 516.960 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2-c1ccc(cc1)OCC)c1ccc(OCc2c(F)cccc2Cl)cc1)C#N
SPLASH splash10-0006-4941000000-d52e54f9a2d4a6a8fcda
Wiley ID 1461223