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2-Chloro-7H-purine-6-carboxylic acid ethyl ester
SpectraBase Compound ID DzLtzNHqIgG
InChI InChI=1S/C8H7ClN4O2/c1-2-15-7(14)5-4-6(11-3-10-4)13-8(9)12-5/h3H,2H2,1H3,(H,10,11,12,13)
InChIKey FSKWJBFZIWLIRY-UHFFFAOYSA-N
Mol Weight 226.62 g/mol
Molecular Formula C8H7ClN4O2
Exact Mass 226.025753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10xKFcVUAWN
Name 2-Chloro-7H-purine-6-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-chloranyl-7H-purine-6-carboxylate Ethyl 2-chloro-7H-purine-6-carboxylate
CAS Registry Number 52819-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClN4O2
InChI InChI=1S/C8H7ClN4O2/c1-2-15-7(14)5-4-6(11-3-10-4)13-8(9)12-5/h3H,2H2,1H3,(H,10,11,12,13)
InChIKey FSKWJBFZIWLIRY-UHFFFAOYSA-N
Molecular Weight 226.623 g/mol
SMILES N1C(=C2C(N=C1Cl)=NC=N2)C(=O)OCC
SPLASH splash10-0udi-0900000000-d37c9f4a063ff55e1a96
Source of Spectrum Y-26-1865-1
Wiley ID 1226763