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Azathioprine

View entire compound with spectra: 2 NMR, 3 FTIR, 2 Raman, and 3 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7twnX8B01Z5
Name AZATHIOPRINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7N7O2S
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
Instrument Name DI
Molecular Weight 277.262 g/mol
SMILES [nH]1c2c(nc1)c(ncn2)Sc1c(N(=O)=O)nc[n]1C
SPLASH splash10-001i-8790000000-aa2c1510c53812e34d8e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany