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acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)thio]-
SpectraBase Compound ID FYcrbNcGZ16
InChI InChI=1S/C21H21N5O2S/c1-14-19(20(28)26(25(14)3)15-9-5-4-6-10-15)23-18(27)13-29-21-22-16-11-7-8-12-17(16)24(21)2/h4-12H,13H2,1-3H3,(H,23,27)
InChIKey SPQXCYCXKTYNFI-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID fOSXyiYjeQ
Name acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(1-methyl-1H-benzimidazol-2-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.141596108 u
Formula C21H21N5O2S
InChI InChI=1S/C21H21N5O2S/c1-14-19(20(28)26(25(14)3)15-9-5-4-6-10-15)23-18(27)13-29-21-22-16-11-7-8-12-17(16)24(21)2/h4-12H,13H2,1-3H3,(H,23,27)
InChIKey SPQXCYCXKTYNFI-UHFFFAOYSA-N
Molecular Weight 407.492 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16277
Solvent DMSO-d6
Source Vendor ID: NMR/10300140; Lab Info: LP; Lab Number: LP-20612