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N-METHYL-2,4,N-TRINITROANILINE

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N-METHYL-2,4,N-TRINITROANILINE
SpectraBase Compound ID J6EYjTu0Cee
InChI InChI=1S/C7H6N4O6/c1-8(11(16)17)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3
InChIKey BUGRLMJGTJHURD-UHFFFAOYSA-N
Mol Weight 242.15 g/mol
Molecular Formula C7H6N4O6
Exact Mass 242.028734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HCM06DFEKm
Name N-METHYL-N,2,4-TRINITROANILINE
Source of Sample E. Kolehmainen, K. Laihia and R. Kauppinen, University of Jyvaskyla, Jyvaskyla, Finland R. Gawinecki and D. Rasala, Pedagogical University, Poland Magn. Reson. Chem. 31, 659(1993)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N4O6
InChI InChI=1S/C7H6N4O6/c1-8(11(16)17)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3
InChIKey BUGRLMJGTJHURD-UHFFFAOYSA-N
Melting Point 113-115C
Molecular Weight 242.15
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=30C Spectrometer= Jeol GSX 270
Synonyms ANILINE, N-METHYL-N,2,4-TRINITRO-,