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acetamide, 2-[(2-chloro-9H-purin-6-yl)thio]-N-(3-phenylpropyl)-
SpectraBase Compound ID KymzltNJmWD
InChI InChI=1S/C16H16ClN5OS/c17-16-21-14-13(19-10-20-14)15(22-16)24-9-12(23)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H,18,23)(H,19,20,21,22)
InChIKey BCZUUOOTXRLNLB-UHFFFAOYSA-N
Mol Weight 361.85 g/mol
Molecular Formula C16H16ClN5OS
Exact Mass 361.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EkJNw3Sgc5y
Name acetamide, 2-[(2-chloro-9H-purin-6-yl)thio]-N-(3-phenylpropyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H16ClN5OS/c17-16-21-14-13(19-10-20-14)15(22-16)24-9-12(23)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H,18,23)(H,19,20,21,22)
InChIKey BCZUUOOTXRLNLB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_5380
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F25080; Labnumber: ExLab-203513