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acetamide, 2-[(2,3,6,7-tetrahydro-1,3-dimethyl-7-octyl-2,6-dioxo-1H-purin-8-yl)thio]-
SpectraBase Compound ID Hqj5NdHu7CI
InChI InChI=1S/C17H27N5O3S/c1-4-5-6-7-8-9-10-22-13-14(19-16(22)26-11-12(18)23)20(2)17(25)21(3)15(13)24/h4-11H2,1-3H3,(H2,18,23)
InChIKey XJKZNIJXIRHEMM-UHFFFAOYSA-N
Mol Weight 381.5 g/mol
Molecular Formula C17H27N5O3S
Exact Mass 381.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DVSS0CtkZKV
Name acetamide, 2-[(2,3,6,7-tetrahydro-1,3-dimethyl-7-octyl-2,6-dioxo-1H-purin-8-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 381.183460920 u
Formula C17H27N5O3S
InChI InChI=1S/C17H27N5O3S/c1-4-5-6-7-8-9-10-22-13-14(19-16(22)26-11-12(18)23)20(2)17(25)21(3)15(13)24/h4-11H2,1-3H3,(H2,18,23)
InChIKey XJKZNIJXIRHEMM-UHFFFAOYSA-N
Molecular Weight 381.495 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6365
Solvent DMSO-d6
Source Vendor ID: NMR/9311293; Lab Info: SAD; Lab Number: SAD-das1059