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6-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

View entire compound with spectra: 2 NMR

6-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 4Kfoi8CZ1Oz
InChI InChI=1S/C24H19BrN6O/c1-14-20-21(18(11-26)23(27)32-24(20)29-28-14)19-13-31(12-15-7-9-17(25)10-8-15)30-22(19)16-5-3-2-4-6-16/h2-10,13,21H,12,27H2,1H3,(H,28,29)
InChIKey ZZYSHPSUASXJDL-UHFFFAOYSA-N
Mol Weight 487.36 g/mol
Molecular Formula C24H19BrN6O
Exact Mass 486.080372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmOc16zR6Su
Name 6-Amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-3-methyl-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 486.080372255 u
Formula C24H19BrN6O
InChI InChI=1S/C24H19BrN6O/c1-14-20-21(18(11-26)23(27)32-24(20)29-28-14)19-13-31(12-15-7-9-17(25)10-8-15)30-22(19)16-5-3-2-4-6-16/h2-10,13,21H,12,27H2,1H3,(H,28,29)
InChIKey ZZYSHPSUASXJDL-UHFFFAOYSA-N
Molecular Weight 487.361 g/mol
SMILES NC1=C(C(C2=C(O1)NN=C2C)C=1C(=NN(C1)CC1=CC=C(C=C1)Br)C=1C=CC=CC1)C#N