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2-(8-Bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide

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2-(8-Bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide
SpectraBase Compound ID FuQvWrK1Dso
InChI InChI=1S/C16H16BrN5O3/c1-9-4-6-10(7-5-9)18-11(23)8-22-12-13(19-15(22)17)20(2)16(25)21(3)14(12)24/h4-7H,8H2,1-3H3,(H,18,23)
InChIKey CXTSCMYUBIAVHZ-UHFFFAOYSA-N
Mol Weight 406.24 g/mol
Molecular Formula C16H16BrN5O3
Exact Mass 405.043652 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DqyyEZhFL1k
Name 1H-purine-7-acetamide, 8-bromo-2,3,6,7-tetrahydro-1,3-dimethyl-N-(4-methylphenyl)-2,6-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.043652392 u
Formula C16H16BrN5O3
InChI InChI=1S/C16H16BrN5O3/c1-9-4-6-10(7-5-9)18-11(23)8-22-12-13(19-15(22)17)20(2)16(25)21(3)14(12)24/h4-7H,8H2,1-3H3,(H,18,23)
InChIKey CXTSCMYUBIAVHZ-UHFFFAOYSA-N
Molecular Weight 406.240 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11729
Solvent DMSO-d6
Source Vendor ID: NMR/10271442; Lab Info: PREZ; Lab Number: PREZ-X000026