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1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-
SpectraBase Compound ID 8otqTJj8Kdh
InChI InChI=1S/C9H12N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h5H,4H2,1-3H3
InChIKey RPOQNHMXOPWCEK-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C9H12N4O2
Exact Mass 208.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0CKaiyq29g
Name 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-
Alternate Name(s) 7-Ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-Ethyl-1,3-dimethyl-purine-2,6-dione 7-Ethyl-1,3-dimethyl-xanthine 7-Ethyltheophylline Ethyltheophylline Theophylline, 7-ethyl- NSC 515485
CAS Registry Number 23043-88-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O2
InChI InChI=1S/C9H12N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h5H,4H2,1-3H3
InChIKey RPOQNHMXOPWCEK-UHFFFAOYSA-N
Molecular Weight 208.221 g/mol
SMILES CC[n]1c2c(N(C)C(=O)N(C2=O)C)nc1
SPLASH splash10-0a4i-9550000000-082305e31c2f99f801d9
Source of Spectrum JZ-1992-5392-0
Wiley ID 1206311