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sodium (9H-purin-6-ylsulfanyl)acetate

View entire compound with spectra: 1 NMR

sodium (9H-purin-6-ylsulfanyl)acetate
SpectraBase Compound ID 7mdThxgNeAS
InChI InChI=1S/C7H6N4O2S.Na/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7;/h2-3H,1H2,(H,12,13)(H,8,9,10,11);/q;+1/p-1
InChIKey ROAATLFJJZRZCG-UHFFFAOYSA-M
Mol Weight 232.19 g/mol
Molecular Formula C7H5N4NaO2S
Exact Mass 232.003091 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Zv5ieRo2XO
Name sodium (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/C7H6N4O2S.Na/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7;/h2-3H,1H2,(H,12,13)(H,8,9,10,11);/q;+1/p-1
InChIKey ROAATLFJJZRZCG-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16697
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: 987/00004243; Labnumber: 987/00004243218851; VK_ID: VK-016702
Temperature 308 °C