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Pentobarbital

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, 29 MS (GC), and 16 MS (LC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3rnvyg37ls
Name 5-Ethyl-5-(1-methylbutyl)-barbituric acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. 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
Ionization Type EI-B
Molecular Weight 226.276 g/mol
SMILES N1C(C(C(=O)NC1=O)(C(CCC)C)CC)=O
SPLASH splash10-0a4l-5900000000-a649b50554247b20d3ec
Source of Spectrum SRH-2022-3839-0
Synonyms Pentobarbital
Wiley ID 1826063