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1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 13 MS (GC)

1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
SpectraBase Compound ID J2hlYSR42si
InChI InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey XMWRWTSZNLOZFN-UHFFFAOYSA-N
Mol Weight 297.27 g/mol
Molecular Formula C12H15N3O6
Exact Mass 297.096085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yv34dXVIzI
Name 5-tert-BUTYL-2,4,6-TRINITRO-m-XYLENE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O6
InChI InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey XMWRWTSZNLOZFN-UHFFFAOYSA-N
Melting Point 113C
Molecular Weight 297.27
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms M-XYLENE, 5-tert-BUTYL-2,4,6-TRINITRO-,