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benzoic acid, 4-(4-(4-chlorophenyl)-4,6-dihydro-6-oxo-3-(2-thienyl)pyrrolo[3,4-c]pyrazol-5(1H)-yl)-, ethyl ester
SpectraBase Compound ID Aol4dsOTOvt
InChI InChI=1S/C24H18ClN3O3S/c1-2-31-24(30)15-7-11-17(12-8-15)28-22(14-5-9-16(25)10-6-14)19-20(18-4-3-13-32-18)26-27-21(19)23(28)29/h3-13,22H,2H2,1H3,(H,26,27)
InChIKey PBNGNLBEGSUTFF-UHFFFAOYSA-N
Mol Weight 463.94 g/mol
Molecular Formula C24H18ClN3O3S
Exact Mass 463.07574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Aw2VSKVNT9
Name benzoic acid, 4-(4-(4-chlorophenyl)-4,6-dihydro-6-oxo-3-(2-thienyl)pyrrolo[3,4-c]pyrazol-5(1H)-yl)-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.075740323 u
Formula C24H18ClN3O3S
InChI InChI=1S/C24H18ClN3O3S/c1-2-31-24(30)15-7-11-17(12-8-15)28-22(14-5-9-16(25)10-6-14)19-20(18-4-3-13-32-18)26-27-21(19)23(28)29/h3-13,22H,2H2,1H3,(H,26,27)
InChIKey PBNGNLBEGSUTFF-UHFFFAOYSA-N
Molecular Weight 463.939 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7409
Solvent DMSO-d6
Source Vendor ID: NMR/13308186