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Etofylline AC
SpectraBase Compound ID 6uZFgtm7Wuc
InChI InChI=1S/C11H14N4O4/c1-7(16)19-5-4-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3
InChIKey CQKZJBMFMGGBHJ-UHFFFAOYSA-N
Mol Weight 266.26 g/mol
Molecular Formula C11H14N4O4
Exact Mass 266.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J71Gq3CC8G
Name Etofylline AC
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 266.101504943 u
Formula C11H14N4O4
InChI InChI=1S/C11H14N4O4/c1-7(16)19-5-4-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6H,4-5H2,1-3H3
InChIKey CQKZJBMFMGGBHJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 266.257 g/mol
Nominal Mass 266 u
Quality 889
Retention Index 2204
SMILES C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCOC(=O)C
SPLASH splash10-06ei-9850000000-7eb0148689fb600c3f2b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate
Technique GC/MS
Wiley ID DD2024_001389