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Allobarbital
SpectraBase Compound ID AiaXrPIcHyU
InChI InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuePlkrHFNg
Name Allobarbital
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C10H12N2O3
InChI InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N
SMILES N1C(=O)NC(C(C1=O)(CC=C)CC=C)=O
SPLASH splash10-017l-9500000000-ca1ef6ec6142a9e62e33
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences