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ethyl 2-(9H-purin-6-ylsulfanyl)butanoate

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ethyl 2-(9H-purin-6-ylsulfanyl)butanoate
SpectraBase Compound ID LIEIJOFUvbT
InChI InChI=1S/C11H14N4O2S/c1-3-7(11(16)17-4-2)18-10-8-9(13-5-12-8)14-6-15-10/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKey HNCRQQNMLJEWID-UHFFFAOYSA-N
Mol Weight 266.32 g/mol
Molecular Formula C11H14N4O2S
Exact Mass 266.083747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1FKKygMg0m8
Name ethyl 2-(9H-purin-6-ylsulfanyl)butanoate
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/C11H14N4O2S/c1-3-7(11(16)17-4-2)18-10-8-9(13-5-12-8)14-6-15-10/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKey HNCRQQNMLJEWID-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16713
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: 987/00004273; Labnumber: 987/00004273218852; VK_ID: VK-016718
Temperature 318 °C