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1H-1,2,4-triazole-1-acetamide, N-(1,1-dimethylethyl)-5-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]-
SpectraBase Compound ID f3GQKa7fdC
InChI InChI=1S/C16H22N8O3S/c1-16(2,3)20-9(25)7-24-13(17-8-18-24)28-14-19-11-10(21(14)4)12(26)23(6)15(27)22(11)5/h8H,7H2,1-6H3,(H,20,25)
InChIKey JLNBMACIKLFOHW-UHFFFAOYSA-N
Mol Weight 406.47 g/mol
Molecular Formula C16H22N8O3S
Exact Mass 406.153558 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6eZppZfCjnx
Name 1H-1,2,4-triazole-1-acetamide, N-(1,1-dimethylethyl)-5-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-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 406.153557771 u
Formula C16H22N8O3S
InChI InChI=1S/C16H22N8O3S/c1-16(2,3)20-9(25)7-24-13(17-8-18-24)28-14-19-11-10(21(14)4)12(26)23(6)15(27)22(11)5/h8H,7H2,1-6H3,(H,20,25)
InChIKey JLNBMACIKLFOHW-UHFFFAOYSA-N
Molecular Weight 406.465 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6583
Solvent DMSO-d6
Source Vendor ID: NMR/9291366; Lab Info: LP; Lab Number: LP-3701067