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Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-[1,1'-biphenyl]-4-yl-1,4-dihydro-3-(3,4,5-trimethoxyphenyl)-
SpectraBase Compound ID 7mGS8T8CKhM
InChI InChI=1S/C28H24N4O4/c1-33-21-13-19(14-22(34-2)26(21)35-3)25-24-23(20(15-29)27(30)36-28(24)32-31-25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-14,23H,30H2,1-3H3,(H,31,32)
InChIKey YHFHKFQLFMIEQI-UHFFFAOYSA-N
Mol Weight 480.52 g/mol
Molecular Formula C28H24N4O4
Exact Mass 480.179755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rXleqFriSt
Name Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-[1,1'-biphenyl]-4-yl-1,4-dihydro-3-(3,4,5-trimethoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.179755265 u
Formula C28H24N4O4
InChI InChI=1S/C28H24N4O4/c1-33-21-13-19(14-22(34-2)26(21)35-3)25-24-23(20(15-29)27(30)36-28(24)32-31-25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-14,23H,30H2,1-3H3,(H,31,32)
InChIKey YHFHKFQLFMIEQI-UHFFFAOYSA-N
Molecular Weight 480.524 g/mol
SMILES NC1=C(C(C2=C(O1)NN=C2C1=CC(OC)=C(C(=C1)OC)OC)C=1C=CC(=CC1)C1=CC=CC=C1)C#N