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TRIETHYLAMMONIUM 6-METHYL-6-ACETYL-2,4,9-TRINITRO-7-OXOBICYCLO[3.3.1]NON-2-EN-4-OATE
SpectraBase Compound ID 2U7doxzNFIp
InChI InChI=1S/C12H12N3O8.C6H15N/c1-5(16)12(2)9(17)3-6-7(13(18)19)4-8(14(20)21)10(12)11(6)15(22)23;1-4-7(5-2)6-3/h4,6,10-11H,3H2,1-2H3;4-6H2,1-3H3/q-1;/p+1/t6-,10+,11+,12-;/m1./s1
InChIKey UWDBFPNYYHXZPC-XKAYHPBCSA-O
Mol Weight 428.44 g/mol
Molecular Formula C18H28N4O8
Exact Mass 428.190714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DcmdGTnILvL
Name TRIETHYLAMMONIUM 6-METHYL-6-ACETYL-2,4,9-TRINITRO-7-OXOBICYCLO[3.3.1]NON-2-EN-4-OATE
Comments S
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H28N4O8
InChI InChI=1S/C12H12N3O8.C6H15N/c1-5(16)12(2)9(17)3-6-7(13(18)19)4-8(14(20)21)10(12)11(6)15(22)23;1-4-7(5-2)6-3/h4,6,10-11H,3H2,1-2H3;4-6H2,1-3H3/q-1;/p+1/t6-,10+,11+,12-;/m1./s1
InChIKey UWDBFPNYYHXZPC-XKAYHPBCSA-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