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acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-
SpectraBase Compound ID Jw0ZVM0SeTt
InChI InChI=1S/C16H16ClN5O3S/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)26-8-11(18)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKey TUNPPVXEISLHSJ-UHFFFAOYSA-N
Mol Weight 393.85 g/mol
Molecular Formula C16H16ClN5O3S
Exact Mass 393.066238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6mYPnp6Y7G5
Name acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-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 393.066238266 u
Formula C16H16ClN5O3S
InChI InChI=1S/C16H16ClN5O3S/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)26-8-11(18)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKey TUNPPVXEISLHSJ-UHFFFAOYSA-N
Molecular Weight 393.849 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10309
Solvent DMSO-d6
Source Vendor ID: NMR/10241083; Lab Info: SAD; Lab Number: SAD-0001662