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Azathioprine
SpectraBase Compound ID KsFsrG3Jo80
InChI InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
InChIKey LMEKQMALGUDUQG-UHFFFAOYSA-N
Mol Weight 277.26 g/mol
Molecular Formula C9H7N7O2S
Exact Mass 277.038194 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4VwkbICd4Fj
Name 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine
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/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
InChIKey LMEKQMALGUDUQG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28914
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: D90448; Labnumber: PRZHI-0067; SBI_ID: SBI-028918
Synonyms 1-methyl-4-nitro-1H-imidazol-5-yl 7H-purin-6-yl sulfide
Temperature 303 °C