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Tolcapone

View entire compound with spectra: 1 NMR, and 8 MS (GC)

Tolcapone
SpectraBase Compound ID GgPUFyUuKM2
InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
InChIKey MIQPIUSUKVNLNT-UHFFFAOYSA-N
Mol Weight 273.24 g/mol
Molecular Formula C14H11NO5
Exact Mass 273.063722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kgA4M10wWr
Name MIQPIUSUKVNLNT-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11NO5
InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
InChIKey MIQPIUSUKVNLNT-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 273.245 g/mol
Source File Reference MHKO20064