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Butallylonal
SpectraBase Compound ID 6TTip6i1AeE
InChI InChI=1S/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKey FWZMBTIUIQUJFF-UHFFFAOYSA-N
Mol Weight 303.16 g/mol
Molecular Formula C11H15BrN2O3
Exact Mass 302.026605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4u1mHMxR6OV
Name Butallylonal
CAS Registry Number 1142-70-7
Classification Hypnotic
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Exact Mass 302.026605348 u
Formula C11H15BrN2O3
InChI InChI=1S/C11H15BrN2O3/c1-4-6(2)11(5-7(3)12)8(15)13-10(17)14-9(11)16/h6H,3-5H2,1-2H3,(H2,13,14,15,16,17)
InChIKey FWZMBTIUIQUJFF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.156 g/mol
SMILES C1(NC(=O)C(C(CC)C)(CC(=C)Br)C(N1)=O)=O
SPLASH splash10-01b9-7920000000-5fedd5a54203c8811342
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 P U
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_1916