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Xanthinol 2AC
SpectraBase Compound ID 9krfSXBmuqh
InChI InChI=1S/C17H25N5O6/c1-11(23)27-7-6-19(3)8-13(28-12(2)24)9-22-10-18-15-14(22)16(25)21(5)17(26)20(15)4/h10,13H,6-9H2,1-5H3
InChIKey KVVYPFRANPYBEA-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C17H25N5O6
Exact Mass 395.180484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMK4MfEcvSz
Name Xanthinol 2AC
Classification Vasodilator
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Exact Mass 395.180483539 u
Formula C17H25N5O6
InChI InChI=1S/C17H25N5O6/c1-11(23)27-7-6-19(3)8-13(28-12(2)24)9-22-10-18-15-14(22)16(25)21(5)17(26)20(15)4/h10,13H,6-9H2,1-5H3
InChIKey KVVYPFRANPYBEA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 395.416 g/mol
Related CAS Registry Number(s) 2530-97-4
SMILES c1[n](c2c(N(C(N(C2=O)C)=O)C)n1)CC(CN(CCOC(C)=O)C)OC(=O)C
SPLASH splash10-001r-7920000000-5173acb582306cda5b97
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.
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_2724