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pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-chlorophenyl)-4,5-dihydro-5-(4-methylphenyl)-4-(2-thienyl)-
SpectraBase Compound ID HyJOtxaaH28
InChI InChI=1S/C22H16ClN3OS/c1-13-4-10-16(11-5-13)26-21(17-3-2-12-28-17)18-19(24-25-20(18)22(26)27)14-6-8-15(23)9-7-14/h2-12,21H,1H3,(H,24,25)
InChIKey PWTSIVGTYSSOPJ-UHFFFAOYSA-N
Mol Weight 405.9 g/mol
Molecular Formula C22H16ClN3OS
Exact Mass 405.070261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID sMgpT4868d
Name pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-chlorophenyl)-4,5-dihydro-5-(4-methylphenyl)-4-(2-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.070261020 u
Formula C22H16ClN3OS
InChI InChI=1S/C22H16ClN3OS/c1-13-4-10-16(11-5-13)26-21(17-3-2-12-28-17)18-19(24-25-20(18)22(26)27)14-6-8-15(23)9-7-14/h2-12,21H,1H3,(H,24,25)
InChIKey PWTSIVGTYSSOPJ-UHFFFAOYSA-N
Molecular Weight 405.903 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7383
Solvent DMSO-d6
Source Vendor ID: NMR/13308155