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1,5-(Ethylmethyl)-2,4,6,8-semibullvalenetetracarboxylic bisimide

Compound with spectra: 1 NMR, and 1 MS (GC)

1,5-(Ethylmethyl)-2,4,6,8-semibullvalenetetracarboxylic bisimide
SpectraBase Compound ID Lh1MnvBsgng
InChI InChI=1S/C27H20N2O4/c1-3-27-24(2)18-14-25(27)22(32)29(17-12-8-5-9-13-17)23(33)26(25,27)15-19(24)21(31)28(20(18)30)16-10-6-4-7-11-16/h4-15H,3H2,1-2H3/t24-,25-,26+,27+
InChIKey YLRGUAOQHSQIQJ-PVCJUVKBSA-N
Mol Weight 436.47 g/mol
Molecular Formula C27H20N2O4
Exact Mass 436.142307 g/mol

View Spectrum of 1,5-(Ethylmethyl)-2,4,6,8-semibullvalenetetracarboxylic bisimide

MS (GC) Spectrum
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Source of Spectrum J-66-1958-2

View Spectrum of 1,5-(Ethylmethyl)-2,4,6,8-semibullvalenetetracarboxylic bisimide

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Lifting of the Degeneracy in Semibullvalenes by Remote and Direct Substituents:  A Quantitative Study Using Variable-Temperature Carbon-13 NMR Spectroscopy The Journal of Organic Chemistry 2001

This compound is available in the following databases:

Wiley Registry of Mass Spectral Data 2023
Author: Wiley

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