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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

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30sjblnbcUE
Name METHYL-2,4,6-TRINITROBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author A.LYCKA,V.MACHACEK,J.JIRMAN
Literature Reference Citation COLL.CZ.CH.COMM.,52,2946(1987)
Literature Reference DOI 10.1135/cccc19872946
Solvent DMSO-D6;CR(ACAC)3=10G/L
Source File Reference UWED16624