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7-(4-tert-Butylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-(4-tert-Butylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID A3B3BJ2LDJt
InChI InChI=1S/C18H22N4O2/c1-18(2,3)13-8-6-12(7-9-13)10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h6-9,11H,10H2,1-5H3
InChIKey ZFZAIHKQJBMYLO-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C18H22N4O2
Exact Mass 326.174276 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G7YespdXy7g
Name 1H-purine-2,6-dione, 7-[[4-(1,1-dimethylethyl)phenyl]methyl]-3,7-dihydro-1,3-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.174275962 u
Formula C18H22N4O2
InChI InChI=1S/C18H22N4O2/c1-18(2,3)13-8-6-12(7-9-13)10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h6-9,11H,10H2,1-5H3
InChIKey ZFZAIHKQJBMYLO-UHFFFAOYSA-N
Molecular Weight 326.400 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7320
Solvent DMSO-d6
Source Vendor ID: NMR/10222854; Lab Info: SAD; Lab Number: SAD-DAS1476