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1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[(2-methyl-1-naphthalenyl)methyl]thio]-
SpectraBase Compound ID GyosorN3rED
InChI InChI=1S/C20H20N4O2S/c1-12-9-10-13-7-5-6-8-14(13)15(12)11-27-19-21-17-16(22(19)2)18(25)24(4)20(26)23(17)3/h5-10H,11H2,1-4H3
InChIKey ZXNPVTZZQZSAEM-UHFFFAOYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C20H20N4O2S
Exact Mass 380.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ErXTLH6aMDe
Name 1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[(2-methyl-1-naphthalenyl)methyl]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 380.130697072 u
Formula C20H20N4O2S
InChI InChI=1S/C20H20N4O2S/c1-12-9-10-13-7-5-6-8-14(13)15(12)11-27-19-21-17-16(22(19)2)18(25)24(4)20(26)23(17)3/h5-10H,11H2,1-4H3
InChIKey ZXNPVTZZQZSAEM-UHFFFAOYSA-N
Molecular Weight 380.466 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_210
Solvent DMSO-d6
Source Vendor ID: ZI/8070800; Lab Info: LP; Lab Number: LP-3700376
Temperature 29.85 °C