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8-Chlorotheophylline

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, 3 UV-Vis, and 6 MS (GC)

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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 88nCKbRKg84
Name 8-Chlorotheophylline
Source of Sample Aldrich
Catalog Number C71807
CAS Registry Number 85-18-7
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. 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
Purity 98%
Synonyms 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione
Wiley ID SIAL_ATR-IR_022971