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3-Thiophenecarboxylic acid, 4-[[(2-chloro-6-methoxy-7-methyl-7H-purin-8-yl)amino]sulfonyl]-, methyl ester

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3-Thiophenecarboxylic acid, 4-[[(2-chloro-6-methoxy-7-methyl-7H-purin-8-yl)amino]sulfonyl]-, methyl ester
SpectraBase Compound ID HJ914aFkWME
InChI InChI=1S/C13H12ClN5O5S2/c1-19-8-9(15-12(14)17-10(8)23-2)16-13(19)18-26(21,22)7-5-25-4-6(7)11(20)24-3/h4-5H,1-3H3,(H,15,16,17,18)
InChIKey DCNNUEOCBHORCO-UHFFFAOYSA-N
Mol Weight 417.84 g/mol
Molecular Formula C13H12ClN5O5S2
Exact Mass 416.996839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQFXB8dhDBE
Name 3-Thiophenecarboxylic acid, 4-[[(2-chloro-6-methoxy-7-methyl-7H-purin-8-yl)amino]sulfonyl]-, methyl ester
CAS Registry Number 133185-38-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12ClN5O5S2
InChI InChI=1S/C13H12ClN5O5S2/c1-19-8-9(15-12(14)17-10(8)23-2)16-13(19)18-26(21,22)7-5-25-4-6(7)11(20)24-3/h4-5H,1-3H3,(H,15,16,17,18)
InChIKey DCNNUEOCBHORCO-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6