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6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-phenyl]-3-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-phenyl]-3-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 5seqW6TC9b4
InChI InChI=1S/C26H19ClFN5O3/c1-34-21-10-14(7-8-20(21)35-13-17-18(27)5-2-6-19(17)28)22-16(11-29)25(30)36-26-23(22)24(32-33-26)15-4-3-9-31-12-15/h2-10,12,22H,13,30H2,1H3,(H,32,33)
InChIKey NDQMEGXDZIJRRZ-UHFFFAOYSA-N
Mol Weight 503.92 g/mol
Molecular Formula C26H19ClFN5O3
Exact Mass 503.116045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8R30WC0t9UB
Name 6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-phenyl]-3-(3-pyridyl)-2,4-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 503.116045352 u
Formula C26H19ClFN5O3
InChI InChI=1S/C26H19ClFN5O3/c1-34-21-10-14(7-8-20(21)35-13-17-18(27)5-2-6-19(17)28)22-16(11-29)25(30)36-26-23(22)24(32-33-26)15-4-3-9-31-12-15/h2-10,12,22H,13,30H2,1H3,(H,32,33)
InChIKey NDQMEGXDZIJRRZ-UHFFFAOYSA-N
Molecular Weight 503.921 g/mol
SMILES C12=C(OC(=C(C2C2=CC(=C(OCC3=C(F)C=CC=C3Cl)C=C2)OC)C#N)N)NN=C1C1=CN=CC=C1