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1H-purine-2,6-dione, 3,7-dihydro-7-(2-methoxyethyl)-3-methyl-8-(octylthio)-
SpectraBase Compound ID 9p74PG7o3l4
InChI InChI=1S/C17H28N4O3S/c1-4-5-6-7-8-9-12-25-17-18-14-13(21(17)10-11-24-3)15(22)19-16(23)20(14)2/h4-12H2,1-3H3,(H,19,22,23)
InChIKey IROCDJQVMJLNCR-UHFFFAOYSA-N
Mol Weight 368.5 g/mol
Molecular Formula C17H28N4O3S
Exact Mass 368.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ucBSPmLqSO
Name 1H-purine-2,6-dione, 3,7-dihydro-7-(2-methoxyethyl)-3-methyl-8-(octylthio)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.188211949 u
Formula C17H28N4O3S
InChI InChI=1S/C17H28N4O3S/c1-4-5-6-7-8-9-12-25-17-18-14-13(21(17)10-11-24-3)15(22)19-16(23)20(14)2/h4-12H2,1-3H3,(H,19,22,23)
InChIKey IROCDJQVMJLNCR-UHFFFAOYSA-N
Molecular Weight 368.496 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3093
Solvent DMSO-d6
Source Vendor ID: NMR/9258509; Lab Info: *0964887*; Lab Number: BAS 0964887