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6-Amino-4-[4-(benzyloxy)phenyl]-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile

View entire compound with spectra: 2 NMR

6-Amino-4-[4-(benzyloxy)phenyl]-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
SpectraBase Compound ID 6ILNnBX5fSH
InChI InChI=1S/C27H22N4O3/c1-32-21-9-5-8-19(14-21)25-24-23(22(15-28)26(29)34-27(24)31-30-25)18-10-12-20(13-11-18)33-16-17-6-3-2-4-7-17/h2-14,23H,16,29H2,1H3,(H,30,31)
InChIKey PDOITJNFQATBHE-UHFFFAOYSA-N
Mol Weight 450.5 g/mol
Molecular Formula C27H22N4O3
Exact Mass 450.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDhQ8WUrysS
Name 6-Amino-4-[4-(benzyloxy)phenyl]-3-(3-methoxyphenyl)-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.169190581 u
Formula C27H22N4O3
InChI InChI=1S/C27H22N4O3/c1-32-21-9-5-8-19(14-21)25-24-23(22(15-28)26(29)34-27(24)31-30-25)18-10-12-20(13-11-18)33-16-17-6-3-2-4-7-17/h2-14,23H,16,29H2,1H3,(H,30,31)
InChIKey PDOITJNFQATBHE-UHFFFAOYSA-N
Molecular Weight 450.498 g/mol
SMILES NC1=C(C(C2=C(O1)NN=C2C=1C=C(OC)C=CC1)C1=CC=C(OCC2=CC=CC=C2)C=C1)C#N