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acetamide, 2-[(7-chloro-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-N-(4-methoxyphenyl)-
SpectraBase Compound ID 4eBbVWKX0vu
InChI InChI=1S/C26H20ClN3O3S/c1-32-20-10-8-19(9-11-20)28-23(31)15-34-26-21-14-17-13-18(27)7-12-22(17)33-25(21)29-24(30-26)16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,28,31)
InChIKey ZZMHTGMNKHZHLS-UHFFFAOYSA-N
Mol Weight 489.98 g/mol
Molecular Formula C26H20ClN3O3S
Exact Mass 489.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3VtjBcwnY1k
Name acetamide, 2-[(7-chloro-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-N-(4-methoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.091390387 u
Formula C26H20ClN3O3S
InChI InChI=1S/C26H20ClN3O3S/c1-32-20-10-8-19(9-11-20)28-23(31)15-34-26-21-14-17-13-18(27)7-12-22(17)33-25(21)29-24(30-26)16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,28,31)
InChIKey ZZMHTGMNKHZHLS-UHFFFAOYSA-N
Molecular Weight 489.977 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6458
Solvent DMSO-d6
Source Vendor ID: NMR/13289671