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Heptabarbital

View entire compound with spectra: 1 NMR, 2 FTIR, 2 Raman, 18 MS (GC), and 7 MS (LC)

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 BOp3SHb9AQp
Name HEPTABARBITAL
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name GC
Molecular Weight 250.298 g/mol
SMILES N1C(=O)NC(=O)C(C1=O)(CC)C=1CCCCCC1
SPLASH splash10-006x-9430000000-c90bd0989706b4ad3da2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany