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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 20LbD7EqGm
Name Etofylline clofibrate
CAS Registry Number 54504-70-0
Classification Anticholesteremic
Copyright Copyright © 2023-2024 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
SMILES c1(ccc(cc1)Cl)OC(C(OCC[n]1c2C(N(C)C(=O)N(c2nc1)C)=O)=O)(C)C
SPLASH splash10-014i-9660000000-e7a62da08ad3340093c2
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: G
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1939