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Mephobarbital

View entire compound with spectra: 4 NMR, 5 FTIR, 1 Raman, and 27 MS (GC)

Mephobarbital
SpectraBase Compound ID tfdB6YXaAA
InChI InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKey ALARQZQTBTVLJV-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 27aDJA6LEsC
Name 5-ETHYL-1-METHYL-5-PHENYLBARBITURIC ACID
Source of Sample J. Knabe, Technische Hochschule, Brunswick, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKey ALARQZQTBTVLJV-UHFFFAOYSA-N
Literature Reference TETR 571(1965)
Melting Point 101C
Molecular Weight 246.266006
Optical Properties Optical Rotation= (20C) -9.0 DEG (ETHANOL)
Synonyms BARBITURIC ACID, 5-ETHYL-1-METHYL- 5-PHENYL-, /MINUS/-,
Technique KBr WAFER