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3,4,5-trihexoxybenzonitrile

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3,4,5-trihexoxybenzonitrile
SpectraBase Compound ID DOQMy9BbiVT
InChI InChI=1S/C25H41NO3/c1-4-7-10-13-16-27-23-19-22(21-26)20-24(28-17-14-11-8-5-2)25(23)29-18-15-12-9-6-3/h19-20H,4-18H2,1-3H3
InChIKey KRQLTLVWXFJJNG-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6Sprv1VhNr
Name 3,4,5-trihexoxybenzonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-4-7-10-13-16-27-23-19-22(21-26)20-24(28-17-14-11-8-5-2)25(23)29-18-15-12-9-6-3/h19-20H,4-18H2,1-3H3
InChIKey KRQLTLVWXFJJNG-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 403.605 g/mol
Source File Reference MHKO26994