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Pentoxifylline
SpectraBase Compound ID 5ZhB1jG504t
InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
InChIKey BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C13H18N4O3
Exact Mass 278.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VwqdvDDpPU
Name Pentoxyfylline
CAS Registry Number 6493-05-6
Classification Pharmaceutical drug, blood flow enhancer
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 278.137890453 u
Formula C13H18N4O3
InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
InChIKey BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 278.312 g/mol
Nominal Mass 278 u
Quality 992
Retention Index 2562
SMILES C12=C(N(C(N(C2=O)CCCCC(=O)C)=O)C)N=CN1C
SPLASH splash10-007o-7940000000-1bb328fa2098372b60b6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Pentoxifylline 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Technique GC/MS
Wiley ID DD2024_009953