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exo, exo-2,7-Bis(3,5-dinitro-benzoate)-syn-tetracyclo(6.2.1.1/3,6/.0/2,7/)dodecane

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exo, exo-2,7-Bis(3,5-dinitro-benzoate)-syn-tetracyclo(6.2.1.1/3,6/.0/2,7/)dodecane
SpectraBase Compound ID 6vjOK3H6nup
InChI InChI=1S/C26H22N4O12/c31-23(13-5-19(27(33)34)11-20(6-13)28(35)36)41-25-15-1-2-16(9-15)26(25,18-4-3-17(25)10-18)42-24(32)14-7-21(29(37)38)12-22(8-14)30(39)40/h5-8,11-12,15-18H,1-4,9-10H2/t15-,16+,17+,18-,25-,26-
InChIKey BFWPYEFNYRAWMG-AJSITHEDSA-N
Mol Weight 582.48 g/mol
Molecular Formula C26H22N4O12
Exact Mass 582.123422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVbbWvfaBmx
Name exo, exo-2,7-Bis(3,5-dinitro-benzoate)-syn-tetracyclo(6.2.1.1/3,6/.0/2,7/)dodecane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H22N4O12
InChI InChI=1S/C26H22N4O12/c31-23(13-5-19(27(33)34)11-20(6-13)28(35)36)41-25-15-1-2-16(9-15)26(25,18-4-3-17(25)10-18)42-24(32)14-7-21(29(37)38)12-22(8-14)30(39)40/h5-8,11-12,15-18H,1-4,9-10H2/t15-,16+,17+,18-,25-,26-
InChIKey BFWPYEFNYRAWMG-AJSITHEDSA-N
Literature Reference L.A. Paquette, G. Delucca, K. Ohkata, J. Am. Chem. Soc. 107, 1015 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3