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7-(2-hydroxyethyl)theophylline, 2-(p-chlorophenoxy)-2-methylpropionate
SpectraBase Compound ID DkeAd51ZOaK
InChI InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3
InChIKey KYAKGJDISSNVPZ-UHFFFAOYSA-N
Mol Weight 420.85 g/mol
Molecular Formula C19H21ClN4O5
Exact Mass 420.120047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ThRjGRGmvr
Name Etofyllinclofibrate
CAS Registry Number 54504-70-0
Classification Pharmaceutical drug, lipid regulator
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 420.120047487 u
Formula C19H21ClN4O5
InChI InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3
InChIKey KYAKGJDISSNVPZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 420.853 g/mol
Nominal Mass 420 u
Quality 882
Retention Index 3305
SMILES C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCOC(C(OC=1C=CC(=CC1)Cl)(C)C)=O
SPLASH splash10-066r-6980100000-fbb5813043c379211931
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)ethyl-2-(4-chlorophenoxy)-2-methyl propanoate
Technique GC/MS
Wiley ID DD2024_007815