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9H-purin-2-amine, 6-[(1-ethyl-2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
SpectraBase Compound ID 153I7eYZOCe
InChI InChI=1S/C11H12N8O2S/c1-3-18-5(2)15-8(19(20)21)10(18)22-9-6-7(14-4-13-6)16-11(12)17-9/h4H,3H2,1-2H3,(H3,12,13,14,16,17)
InChIKey ZEFQYYBXNUKUPC-UHFFFAOYSA-N
Mol Weight 320.33 g/mol
Molecular Formula C11H12N8O2S
Exact Mass 320.080393 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AM9slAxC0L8
Name 9H-purin-2-amine, 6-[(1-ethyl-2-methyl-4-nitro-1H-imidazol-5-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 320.080392830 u
Formula C11H12N8O2S
InChI InChI=1S/C11H12N8O2S/c1-3-18-5(2)15-8(19(20)21)10(18)22-9-6-7(14-4-13-6)16-11(12)17-9/h4H,3H2,1-2H3,(H3,12,13,14,16,17)
InChIKey ZEFQYYBXNUKUPC-UHFFFAOYSA-N
Molecular Weight 320.331 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16786
Solvent DMSO-d6
Source Vendor ID: NMR/11250819; Lab Info: KCP; Lab Number: KCP-0105107