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6-[(2-Phenylethyl)sulfanyl]-7H-purine

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6-[(2-Phenylethyl)sulfanyl]-7H-purine
SpectraBase Compound ID DSJhCvVcYh7
InChI InChI=1S/C13H12N4S/c1-2-4-10(5-3-1)6-7-18-13-11-12(15-8-14-11)16-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)
InChIKey VCGOEBQQKCPKEN-UHFFFAOYSA-N
Mol Weight 256.33 g/mol
Molecular Formula C13H12N4S
Exact Mass 256.078268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8mPAYz4zXSk
Name 9H-purine, 6-[(2-phenylethyl)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 256.078267576 u
Formula C13H12N4S
InChI InChI=1S/C13H12N4S/c1-2-4-10(5-3-1)6-7-18-13-11-12(15-8-14-11)16-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)
InChIKey VCGOEBQQKCPKEN-UHFFFAOYSA-N
Molecular Weight 256.327 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5935
Solvent DMSO-d6
Source Vendor ID: NMR/9312075; Lab Info: JSA; Lab Number: JSA-0000079