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1H-purine-2,6-dione, 8-[[(2,4-dichlorophenyl)methyl]thio]-7-ethyl-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID Bo6655XSzwg
InChI InChI=1S/C16H16Cl2N4O2S/c1-4-22-12-13(20(2)16(24)21(3)14(12)23)19-15(22)25-8-9-5-6-10(17)7-11(9)18/h5-7H,4,8H2,1-3H3
InChIKey LISDNTMKECPDJQ-UHFFFAOYSA-N
Mol Weight 399.3 g/mol
Molecular Formula C16H16Cl2N4O2S
Exact Mass 398.037102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ALnIhCqiMoM
Name 1H-purine-2,6-dione, 8-[[(2,4-dichlorophenyl)methyl]thio]-7-ethyl-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 398.037102343 u
Formula C16H16Cl2N4O2S
InChI InChI=1S/C16H16Cl2N4O2S/c1-4-22-12-13(20(2)16(24)21(3)14(12)23)19-15(22)25-8-9-5-6-10(17)7-11(9)18/h5-7H,4,8H2,1-3H3
InChIKey LISDNTMKECPDJQ-UHFFFAOYSA-N
Molecular Weight 399.296 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6607
Solvent DMSO-d6
Source Vendor ID: NMR/9235136; Lab Info: LP; Lab Number: LP-3701001