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benzenemethanol, 4-chloro-alpha-[(9H-purin-6-ylthio)methyl]-
SpectraBase Compound ID HNwE2j7MnA2
InChI InChI=1S/C13H11ClN4OS/c14-9-3-1-8(2-4-9)10(19)5-20-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7,10,19H,5H2,(H,15,16,17,18)
InChIKey YDYPCRKXHRPFFW-UHFFFAOYSA-N
Mol Weight 306.77 g/mol
Molecular Formula C13H11ClN4OS
Exact Mass 306.03421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I8b9idwIQvX
Name benzenemethanol, 4-chloro-alpha-[(9H-purin-6-ylthio)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.034209863 u
Formula C13H11ClN4OS
InChI InChI=1S/C13H11ClN4OS/c14-9-3-1-8(2-4-9)10(19)5-20-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7,10,19H,5H2,(H,15,16,17,18)
InChIKey YDYPCRKXHRPFFW-UHFFFAOYSA-N
Molecular Weight 306.771 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16785
Solvent DMSO-d6
Source Vendor ID: NMR/11250815; Lab Info: KCP; Lab Number: KCP-0105102