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isopropyl 5-(9H-purin-6-ylsulfanyl)pentanoate

View entire compound with spectra: 1 NMR

isopropyl 5-(9H-purin-6-ylsulfanyl)pentanoate
SpectraBase Compound ID JnWr4RwlDyD
InChI InChI=1S/C13H18N4O2S/c1-9(2)19-10(18)5-3-4-6-20-13-11-12(15-7-14-11)16-8-17-13/h7-9H,3-6H2,1-2H3,(H,14,15,16,17)
InChIKey QMSRGMKIIWLXMT-UHFFFAOYSA-N
Mol Weight 294.37 g/mol
Molecular Formula C13H18N4O2S
Exact Mass 294.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AZ4HU4dkGOF
Name isopropyl 5-(9H-purin-6-ylsulfanyl)pentanoate
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/C13H18N4O2S/c1-9(2)19-10(18)5-3-4-6-20-13-11-12(15-7-14-11)16-8-17-13/h7-9H,3-6H2,1-2H3,(H,14,15,16,17)
InChIKey QMSRGMKIIWLXMT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16745
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: 987/00004324; Labnumber: 987/00004324218852; VK_ID: VK-016750
Temperature 318 °C