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[(6-purinyl)thio]acetic acid, ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 UV-Vis

[(6-purinyl)thio]acetic acid, ethyl ester
SpectraBase Compound ID HzmqMknns3
InChI InChI=1S/C9H10N4O2S/c1-2-15-6(14)3-16-9-7-8(11-4-10-7)12-5-13-9/h4-5H,2-3H2,1H3,(H,10,11,12,13)
InChIKey RUTWSJRQLPNXEK-UHFFFAOYSA-N
Mol Weight 238.26 g/mol
Molecular Formula C9H10N4O2S
Exact Mass 238.052447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Ikr0H4a8jr
Name ethyl (9H-purin-6-ylsulfanyl)acetate
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/C9H10N4O2S/c1-2-15-6(14)3-16-9-7-8(11-4-10-7)12-5-13-9/h4-5H,2-3H2,1H3,(H,10,11,12,13)
InChIKey RUTWSJRQLPNXEK-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_626
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: ZI/8070196; Labnumber: CEP-2400352; IOH_ID: IOH-000627
Temperature 313 °C