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Brallobarbitone-permethylated
SpectraBase Compound ID 8XCHwssNGOn
InChI InChI=1S/C12H15BrN2O3/c1-5-6-12(7-8(2)13)9(16)14(3)11(18)15(4)10(12)17/h5H,1-2,6-7H2,3-4H3
InChIKey LJXVFWSDWWSWQD-UHFFFAOYSA-N
Mol Weight 315.17 g/mol
Molecular Formula C12H15BrN2O3
Exact Mass 314.026605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1kDVM2lwX2
Name Brallobarbital 2ME
Classification Hypnotic
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Exact Mass 314.026605348 u
Formula C12H15BrN2O3
InChI InChI=1S/C12H15BrN2O3/c1-5-6-12(7-8(2)13)9(16)14(3)11(18)15(4)10(12)17/h5H,1-2,6-7H2,3-4H3
InChIKey LJXVFWSDWWSWQD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 315.167 g/mol
SMILES C(C=C)C1(CC(=C)Br)C(=O)N(C)C(N(C1=O)C)=O
SPLASH splash10-000i-5980000000-5913ec38bf418571f452
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_645