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acetamide, 2-[(7-butyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-N-[4-(chlorodifluoromethoxy)phenyl]-

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acetamide, 2-[(7-butyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-N-[4-(chlorodifluoromethoxy)phenyl]-
SpectraBase Compound ID 13WwQX0bU9R
InChI InChI=1S/C20H22ClF2N5O4S/c1-4-5-10-28-15-16(26(2)19(31)27(3)17(15)30)25-18(28)33-11-14(29)24-12-6-8-13(9-7-12)32-20(21,22)23/h6-9H,4-5,10-11H2,1-3H3,(H,24,29)
InChIKey FVMZKTWAWBQYBD-UHFFFAOYSA-N
Mol Weight 501.94 g/mol
Molecular Formula C20H22ClF2N5O4S
Exact Mass 501.104909 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TMixLaSH46
Name acetamide, 2-[(7-butyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-N-[4-(chlorodifluoromethoxy)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.104909404 u
Formula C20H22ClF2N5O4S
InChI InChI=1S/C20H22ClF2N5O4S/c1-4-5-10-28-15-16(26(2)19(31)27(3)17(15)30)25-18(28)33-11-14(29)24-12-6-8-13(9-7-12)32-20(21,22)23/h6-9H,4-5,10-11H2,1-3H3,(H,24,29)
InChIKey FVMZKTWAWBQYBD-UHFFFAOYSA-N
Molecular Weight 501.937 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14756
Solvent DMSO-d6
Source Vendor ID: NMR/10320398; Lab Info: SAD; Lab Number: SAD-dast008