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5-(3-fluorophenyl)-1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-
SpectraBase Compound ID 1GbzWCuGHb5
InChI InChI=1S/C28H23FN6O4/c1-39-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-35(23)24(36)16-33-26-25(30-32-33)27(37)34(28(26)38)20-9-5-8-19(29)14-20/h2-14,23,25-26H,15-16H2,1H3
InChIKey ZRKNTBZKTMDLDC-UHFFFAOYSA-N
Mol Weight 526.53 g/mol
Molecular Formula C28H23FN6O4
Exact Mass 526.176481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LUz3qoyKYVb
Name 5-(3-fluorophenyl)-1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.176481404 u
Formula C28H23FN6O4
InChI InChI=1S/C28H23FN6O4/c1-39-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-35(23)24(36)16-33-26-25(30-32-33)27(37)34(28(26)38)20-9-5-8-19(29)14-20/h2-14,23,25-26H,15-16H2,1H3
InChIKey ZRKNTBZKTMDLDC-UHFFFAOYSA-N
Molecular Weight 526.528 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3485
Solvent DMSO-d6
Source Vendor ID: NMR/12289578