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acetamide, 2-[[6-(acetylamino)-2-benzothiazolyl]thio]-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
SpectraBase Compound ID 14qV0i2uhJT
InChI InChI=1S/C22H21N5O3S2/c1-13-20(21(30)27(26(13)3)16-7-5-4-6-8-16)25-19(29)12-31-22-24-17-10-9-15(23-14(2)28)11-18(17)32-22/h4-11H,12H2,1-3H3,(H,23,28)(H,25,29)
InChIKey VBISYIRVCOCHJW-UHFFFAOYSA-N
Mol Weight 467.56 g/mol
Molecular Formula C22H21N5O3S2
Exact Mass 467.108582 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HShJldwct7u
Name acetamide, 2-[[6-(acetylamino)-2-benzothiazolyl]thio]-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.108581901 u
Formula C22H21N5O3S2
InChI InChI=1S/C22H21N5O3S2/c1-13-20(21(30)27(26(13)3)16-7-5-4-6-8-16)25-19(29)12-31-22-24-17-10-9-15(23-14(2)28)11-18(17)32-22/h4-11H,12H2,1-3H3,(H,23,28)(H,25,29)
InChIKey VBISYIRVCOCHJW-UHFFFAOYSA-N
Molecular Weight 467.562 g/mol
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_62
Solvent DMSO-d6
Source Vendor ID: ZI/7083738; Lab Info: LP; Lab Number: LP-0602743
Temperature 39.85 °C