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

*Links on SpectraBase are not permalinks.
2,4,6-trinitrobenzoic acid
SpectraBase Compound ID Hq7spmymfcD
InChI InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)
InChIKey KAQBNBSMMVTKRN-UHFFFAOYSA-N
Mol Weight 257.11 g/mol
Molecular Formula C7H3N3O8
Exact Mass 256.992014 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 AguF5HPfxyw
Name 2,4,6-TRINITROBENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H3N3O8
InChI InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)
InChIKey KAQBNBSMMVTKRN-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 257.116 g/mol
Solvent DMSO-D6
Source File Reference UWCS4875