For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

METHYL-2,4,6-TRINITROBENZOATE

View entire compound with spectra: 4 NMR

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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9WMzgayznGn
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
Molecular Weight 271.143 g/mol
Solvent DMSO-D6
Source File Reference UWCS4876