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acetamide, 2-[(7-chloro-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-N-(3,5-dimethylphenyl)-
SpectraBase Compound ID 6309ecVcLnI
InChI InChI=1S/C27H22ClN3O2S/c1-16-10-17(2)12-21(11-16)29-24(32)15-34-27-22-14-19-13-20(28)8-9-23(19)33-26(22)30-25(31-27)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,29,32)
InChIKey AXBZQGBZKNFIJY-UHFFFAOYSA-N
Mol Weight 488.01 g/mol
Molecular Formula C27H22ClN3O2S
Exact Mass 487.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6f5K5FQzwE7
Name acetamide, 2-[(7-chloro-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-N-(3,5-dimethylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.112125832 u
Formula C27H22ClN3O2S
InChI InChI=1S/C27H22ClN3O2S/c1-16-10-17(2)12-21(11-16)29-24(32)15-34-27-22-14-19-13-20(28)8-9-23(19)33-26(22)30-25(31-27)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,29,32)
InChIKey AXBZQGBZKNFIJY-UHFFFAOYSA-N
Molecular Weight 488.005 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6459
Solvent DMSO-d6
Source Vendor ID: NMR/13289672