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Heptabarbital (ME)
SpectraBase Compound ID 6cnm24BGUIm
InChI InChI=1S/C14H20N2O3/c1-3-14(10-8-6-4-5-7-9-10)11(17)15-13(19)16(2)12(14)18/h8H,3-7,9H2,1-2H3,(H,15,17,19)
InChIKey JCJMPACNJDLUCC-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C14H20N2O3
Exact Mass 264.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38TcM2xykG9
Name Heptabarbital (ME)
Classification Hypnotic
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Exact Mass 264.147392509 u
Formula C14H20N2O3
InChI InChI=1S/C14H20N2O3/c1-3-14(10-8-6-4-5-7-9-10)11(17)15-13(19)16(2)12(14)18/h8H,3-7,9H2,1-2H3,(H,15,17,19)
InChIKey JCJMPACNJDLUCC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 264.325 g/mol
SMILES C1(=CCCCCC1)C1(C(NC(N(C1=O)C)=O)=O)CC
SPLASH splash10-052r-9550000000-591a6e49927fbed89836
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
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_1885