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syn-11-Hydroxymethyl-bicyclo(4.4.1)undeca-1,3,5-triene-3',5'-dinitro-benzoate

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syn-11-Hydroxymethyl-bicyclo(4.4.1)undeca-1,3,5-triene-3',5'-dinitro-benzoate
SpectraBase Compound ID BXn1rQWuf83
InChI InChI=1S/C19H18N2O6/c22-17(13-9-14(20(23)24)11-15(10-13)21(25)26)27-12-16-18-5-1-2-6-19(16,18)8-4-3-7-18/h1-2,5-6,9-11,16H,3-4,7-8,12H2/t18-,19-/m0/s1
InChIKey LTGYYBPULSSZPR-OALUTQOASA-N
Mol Weight 370.36 g/mol
Molecular Formula C19H18N2O6
Exact Mass 370.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MarV07d4Nu
Name syn-11-Hydroxymethyl-bicyclo(4.4.1)undeca-1,3,5-triene-3',5'-dinitro-benzoate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H18N2O6
InChI InChI=1S/C19H18N2O6/c22-17(13-9-14(20(23)24)11-15(10-13)21(25)26)27-12-16-18-5-1-2-6-19(16,18)8-4-3-7-18/h1-2,5-6,9-11,16H,3-4,7-8,12H2/t18-,19-/m0/s1
InChIKey LTGYYBPULSSZPR-OALUTQOASA-N
Instrument Name Varian HA-100
Literature Reference G.L. Thompson, L.A. Paquette, J. Am. Chem. Soc. 96, 3177 (1974).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone