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benzoic acid, 4-(4,6-dihydro-6-oxo-3,4-di(2-thienyl)pyrrolo[3,4-c]pyrazol-5(1H)-yl)-, ethyl ester
SpectraBase Compound ID 1vBneI96P9J
InChI InChI=1S/C22H17N3O3S2/c1-2-28-22(27)13-7-9-14(10-8-13)25-20(16-6-4-12-30-16)17-18(15-5-3-11-29-15)23-24-19(17)21(25)26/h3-12,20H,2H2,1H3,(H,23,24)
InChIKey BCWAAQWPHPENFX-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C22H17N3O3S2
Exact Mass 435.071134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J8mgc01LsZt
Name benzoic acid, 4-(4,6-dihydro-6-oxo-3,4-di(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 435.071133764 u
Formula C22H17N3O3S2
InChI InChI=1S/C22H17N3O3S2/c1-2-28-22(27)13-7-9-14(10-8-13)25-20(16-6-4-12-30-16)17-18(15-5-3-11-29-15)23-24-19(17)21(25)26/h3-12,20H,2H2,1H3,(H,23,24)
InChIKey BCWAAQWPHPENFX-UHFFFAOYSA-N
Molecular Weight 435.516 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7419
Solvent DMSO-d6
Source Vendor ID: NMR/13308199