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Allobarbital

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, 19 MS (GC), and 7 MS (LC)

Allobarbital
SpectraBase Compound ID AiaXrPIcHyU
InChI InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85M4C4WIzAn
Name FDQGNLOWMMVRQL-UHFFFAOYSA-N
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12N2O3
InChI InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey FDQGNLOWMMVRQL-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 208.217 g/mol
Source File Reference MHKO11644