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TRIETHYLAMMONIUM 6-BENZOYL-2,4,9-TRINITRO-7-OXOBICYCLO[3.3.1]NON-2-EN-4-OATE, KETO FORM
SpectraBase Compound ID Anr7AUSoGEz
InChI InChI=1S/C16H12N3O8.C6H15N/c20-12-6-9-10(17(22)23)7-11(18(24)25)13(15(9)19(26)27)14(12)16(21)8-4-2-1-3-5-8;1-4-7(5-2)6-3/h1-5,7,9,13-15H,6H2;4-6H2,1-3H3/q-1;/p+1/t9-,13-,14?,15+;/m1./s1
InChIKey VRLVNWGZFOLUSP-DMXIFYQZSA-O
Mol Weight 476.49 g/mol
Molecular Formula C22H28N4O8
Exact Mass 476.190714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2m4k87Gkm53
Name TRIETHYLAMMONIUM 6-BENZOYL-2,4,9-TRINITRO-7-OXOBICYCLO[3.3.1]NON-2-EN-4-OATE, KETO FORM
Comments )
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28N4O8
InChI InChI=1S/C16H12N3O8.C6H15N/c20-12-6-9-10(17(22)23)7-11(18(24)25)13(15(9)19(26)27)14(12)16(21)8-4-2-1-3-5-8;1-4-7(5-2)6-3/h1-5,7,9,13-15H,6H2;4-6H2,1-3H3/q-1;/p+1/t9-,13-,14?,15+;/m1./s1
InChIKey VRLVNWGZFOLUSP-DMXIFYQZSA-O
Instrument Name Jeol FX-100
Literature Reference V.MACHACEK, A.LYCKA (1984) Coll.Czech.Chem.Comm.: v.49, N1, 244-252.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo