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METHYL-2,4,6-TRINITROBENZOATE

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METHYL-2,4,6-TRINITROBENZOATE
SpectraBase Compound ID I34DzhaCST5
InChI InChI=1S/C8H5N3O8/c1-19-8(12)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3
InChIKey AWCIFPRMQDLFMD-UHFFFAOYSA-N
Mol Weight 271.14 g/mol
Molecular Formula C8H5N3O8
Exact Mass 271.007664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAUDWYs03SL
Name 1-CARBOMETHOXY-2,4,6-TRINITROBENZENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5N3O8
InChI InChI=1S/C8H5N3O8/c1-19-8(12)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3
InChIKey AWCIFPRMQDLFMD-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference A.LYCKA, V.MACHACEK, J.JIRMAN (1987) Coll.Czech.Chem.Comm.: v.52, N12, 2946-2952.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo