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Proxyphylline AC
SpectraBase Compound ID 4LVoc7OEDVQ
InChI InChI=1S/C12H16N4O4/c1-7(20-8(2)17)5-16-6-13-10-9(16)11(18)15(4)12(19)14(10)3/h6-7H,5H2,1-4H3
InChIKey BMKYBGZBTOVPRI-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C12H16N4O4
Exact Mass 280.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T78Po0CFje
Name Proxyphylline AC
Classification Bronchodilator
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Exact Mass 280.117155007 u
Formula C12H16N4O4
InChI InChI=1S/C12H16N4O4/c1-7(20-8(2)17)5-16-6-13-10-9(16)11(18)15(4)12(19)14(10)3/h6-7H,5H2,1-4H3
InChIKey BMKYBGZBTOVPRI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 280.284 g/mol
SMILES c12[n](CC(OC(=O)C)C)cnc2N(C)C(N(C)C1=O)=O
SPLASH splash10-001i-2890000000-9d817075a5e510bd0d4f
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: U+UHYAC
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_946