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Nifenalol -H2O AC
SpectraBase Compound ID HdGDtsYYgFf
InChI InChI=1S/C13H16N2O3/c1-10(2)14(11(3)16)9-8-12-4-6-13(7-5-12)15(17)18/h4-10H,1-3H3/b9-8-
InChIKey XQKVOHRMNADECP-HJWRWDBZSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23B48V68Aq
Name Nifenalol -H2O AC
Classification Beta-Blocker
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Exact Mass 248.116092380 u
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-10(2)14(11(3)16)9-8-12-4-6-13(7-5-12)15(17)18/h4-10H,1-3H3/b9-8-
InChIKey XQKVOHRMNADECP-HJWRWDBZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 248.282 g/mol
SMILES c1cc(ccc1\C=C/N(C(C)C)C(C)=O)N(=O)=O
SPLASH splash10-00di-9410000000-7ca081e96d5367f47565
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: 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_1707