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7-(4-bromobenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Ho3ZhmGEM3y
InChI InChI=1S/C14H13BrN4O2S/c1-17-11-10(12(20)18(2)14(17)21)19(13(22)16-11)7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3,(H,16,22)
InChIKey YFLBLCRWXROGQP-UHFFFAOYSA-N
Mol Weight 381.25 g/mol
Molecular Formula C14H13BrN4O2S
Exact Mass 379.99426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8D8U1pPsDNC
Name 7-(4-bromobenzyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.994259847 u
Formula C14H13BrN4O2S
InChI InChI=1S/C14H13BrN4O2S/c1-17-11-10(12(20)18(2)14(17)21)19(13(22)16-11)7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3,(H,16,22)
InChIKey YFLBLCRWXROGQP-UHFFFAOYSA-N
Molecular Weight 381.248 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_960
Solvent DMSO-d6
Source Vendor ID: NMR/12269007