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Heptabarbital

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 18 MS (GC)

Heptabarbital
SpectraBase Compound ID A2vxXSayUqN
InChI InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey PAZQYDJGLKSCSI-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRJg85TPxx9
Name Heptabarbital
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C13H18N2O3
InChI InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey PAZQYDJGLKSCSI-UHFFFAOYSA-N
SMILES N1C(NC(C(C1=O)(CC)C1=CCCCCC1)=O)=O
SPLASH splash10-00di-9370000000-a716e2d148d75a7222cf
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences