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3,4,5-Tris(4-tert-butylphenyl)-1-vinyl-1H-pyrazole

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3,4,5-Tris(4-tert-butylphenyl)-1-vinyl-1H-pyrazole
SpectraBase Compound ID ASltRX6WwhL
InChI InChI=1S/C35H42N2/c1-11-37-32(26-16-22-29(23-17-26)35(8,9)10)30(24-12-18-27(19-13-24)33(2,3)4)31(36-37)25-14-20-28(21-15-25)34(5,6)7/h11-23H,1H2,2-10H3
InChIKey PKUDPAWQKIMWFP-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C35H42N2
Exact Mass 490.334799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9n6OfmdR4hx
Name 3,4,5-Tris(4-tert-butylphenyl)-1-vinyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.334799360 u
Formula C35H42N2
InChI InChI=1S/C35H42N2/c1-11-37-32(26-16-22-29(23-17-26)35(8,9)10)30(24-12-18-27(19-13-24)33(2,3)4)31(36-37)25-14-20-28(21-15-25)34(5,6)7/h11-23H,1H2,2-10H3
InChIKey PKUDPAWQKIMWFP-UHFFFAOYSA-N
Molecular Weight 490.735 g/mol
SMILES C=1(C(=NN(C1C1=CC=C(C(C)(C)C)C=C1)C=C)C1=CC=C(C(C)(C)C)C=C1)C=1C=CC(C(C)(C)C)=CC1