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1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID CQOmZiktsEL
InChI InChI=1S/C17H17N7O2S/c1-21-12-13(22(2)17(26)23(3)14(12)25)19-15(21)27-16-20-18-10-24(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKey PWXYPRMRXNDBMC-UHFFFAOYSA-N
Mol Weight 383.43 g/mol
Molecular Formula C17H17N7O2S
Exact Mass 383.116444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ct2ACgMkcGA
Name 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[4-(phenylmethyl)-4H-1,2,4-triazol-3-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 383.116443987 u
Formula C17H17N7O2S
InChI InChI=1S/C17H17N7O2S/c1-21-12-13(22(2)17(26)23(3)14(12)25)19-15(21)27-16-20-18-10-24(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKey PWXYPRMRXNDBMC-UHFFFAOYSA-N
Molecular Weight 383.430 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8327
Solvent DMSO-d6
Source Vendor ID: NMR/9321742; Lab Info: LP; Lab Number: LP-3701115