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2-(acetyloxy)-5-(9H-purin-6-ylsulfanyl)pentanoic acid

View entire compound with spectra: 1 NMR

2-(acetyloxy)-5-(9H-purin-6-ylsulfanyl)pentanoic acid
SpectraBase Compound ID 2HDsCiJdvSo
InChI InChI=1S/C12H14N4O4S/c1-7(17)20-8(12(18)19)3-2-4-21-11-9-10(14-5-13-9)15-6-16-11/h5-6,8H,2-4H2,1H3,(H,18,19)(H,13,14,15,16)
InChIKey XUPMDDNINVJTCB-UHFFFAOYSA-N
Mol Weight 310.33 g/mol
Molecular Formula C12H14N4O4S
Exact Mass 310.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FfoRMLgFpPO
Name 2-(acetyloxy)-5-(9H-purin-6-ylsulfanyl)pentanoic acid
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/C12H14N4O4S/c1-7(17)20-8(12(18)19)3-2-4-21-11-9-10(14-5-13-9)15-6-16-11/h5-6,8H,2-4H2,1H3,(H,18,19)(H,13,14,15,16)
InChIKey XUPMDDNINVJTCB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16715
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: 987/00004276; Labnumber: 987/00004276218852; VK_ID: VK-016720
Temperature 318 °C