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1-(1'-phenyl-3',5-di(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)ethanone

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1-(1'-phenyl-3',5-di(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)ethanone
SpectraBase Compound ID JHBDtlXVSQ7
InChI InChI=1S/C22H18N4OS2/c1-15(27)26-19(13-18(23-26)20-9-5-11-28-20)17-14-25(16-7-3-2-4-8-16)24-22(17)21-10-6-12-29-21/h2-12,14,19H,13H2,1H3
InChIKey HSVKPKREDAZLRR-UHFFFAOYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C22H18N4OS2
Exact Mass 418.092204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41ujY8nf4sF
Name 1-(1'-Phenyl-3',5-di(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.092203563 u
Formula C22H18N4OS2
InChI InChI=1S/C22H18N4OS2/c1-15(27)26-19(13-18(23-26)20-9-5-11-28-20)17-14-25(16-7-3-2-4-8-16)24-22(17)21-10-6-12-29-21/h2-12,14,19H,13H2,1H3
InChIKey HSVKPKREDAZLRR-UHFFFAOYSA-N
Molecular Weight 418.533 g/mol
SMILES C=1(C(=NN(C1)C1=CC=CC=C1)C=1SC=CC1)C1N(N=C(C1)C=1SC=CC1)C(=O)C