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8-Chlorotheophylline
SpectraBase Compound ID 9jbSrxei4zf
InChI InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey RYIGNEOBDRVTHA-UHFFFAOYSA-N
Mol Weight 214.61 g/mol
Molecular Formula C7H7ClN4O2
Exact Mass 214.025753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkkzRzfHzS1
Name 8-CHLOROTHEOPHYLLINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H7ClN4O2
InChI InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey RYIGNEOBDRVTHA-UHFFFAOYSA-N
Instrument Name GC
Molecular Weight 214.612 g/mol
SMILES [nH]1c(nc2c1C(N(C(N2C)=O)C)=O)Cl
SPLASH splash10-014l-9310000000-44dff0e0a13f3c16ae90
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany