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acetamide, 2-[[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]thio]-
SpectraBase Compound ID DQn3rOQDpB3
InChI InChI=1S/C21H19N3O3S/c1-12-3-8-17-14(9-12)10-16-20(27-17)23-19(24-21(16)28-11-18(22)25)13-4-6-15(26-2)7-5-13/h3-9H,10-11H2,1-2H3,(H2,22,25)
InChIKey IBGHWGCXFQMAKR-UHFFFAOYSA-N
Mol Weight 393.46 g/mol
Molecular Formula C21H19N3O3S
Exact Mass 393.114713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AXA4pyizNFv
Name acetamide, 2-[[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-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 393.114712655 u
Formula C21H19N3O3S
InChI InChI=1S/C21H19N3O3S/c1-12-3-8-17-14(9-12)10-16-20(27-17)23-19(24-21(16)28-11-18(22)25)13-4-6-15(26-2)7-5-13/h3-9H,10-11H2,1-2H3,(H2,22,25)
InChIKey IBGHWGCXFQMAKR-UHFFFAOYSA-N
Molecular Weight 393.461 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6460
Solvent DMSO-d6
Source Vendor ID: NMR/13289673