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Pentobarbital
SpectraBase Compound ID CMIDElRh6z0
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C11H18N2O3
Exact Mass 226.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lo3hvuOsjt
Name 5-Ethyl-5-(1-methyl-butyl)-barbituric acid
CAS Registry Number 76-74-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H18N2O3
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference F.I. Carroll, C.G. Moreland, J. Chem. Soc. Perkin II 374 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6