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ethanone, 1-(4-chlorophenyl)-2-(9H-purin-6-ylthio)-

View entire compound with spectra: 1 NMR

ethanone, 1-(4-chlorophenyl)-2-(9H-purin-6-ylthio)-
SpectraBase Compound ID LcouayA3oON
InChI InChI=1S/C13H9ClN4OS/c14-9-3-1-8(2-4-9)10(19)5-20-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7H,5H2,(H,15,16,17,18)
InChIKey XNVNMMXIZHBCAD-UHFFFAOYSA-N
Mol Weight 304.75 g/mol
Molecular Formula C13H9ClN4OS
Exact Mass 304.01856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Wv76Yd9m4x
Name ethanone, 1-(4-chlorophenyl)-2-(9H-purin-6-ylthio)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.018559799 u
Formula C13H9ClN4OS
InChI InChI=1S/C13H9ClN4OS/c14-9-3-1-8(2-4-9)10(19)5-20-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7H,5H2,(H,15,16,17,18)
InChIKey XNVNMMXIZHBCAD-UHFFFAOYSA-N
Molecular Weight 304.755 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16784
Solvent DMSO-d6
Source Vendor ID: NMR/11250814; Lab Info: KCP; Lab Number: KCP-0105101