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Phenobarbital

View entire compound with spectra: 18 NMR, 4 FTIR, 1 Raman, 33 MS (GC), and 21 MS (LC)

Phenobarbital
SpectraBase Compound ID HVcyVYA6fpE
InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey DDBREPKUVSBGFI-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eCFjMClRFY
Name 5-ETHYL-5-PHENYLBARBITURIC ACID
Source of Sample Mallinckrodt Chemical Works, St. Louis, Missouri
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey DDBREPKUVSBGFI-UHFFFAOYSA-N
Melting Point 174-178C
Molecular Weight 232.24
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PHENOBARBITAL BARBITURIC ACID, 5-ETHYL-5-PHENYL-,