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1,3,5-Trinitrobenzene

View entire compound with spectra: 15 NMR, 1 FTIR, and 5 MS (GC)

1,3,5-Trinitrobenzene
SpectraBase Compound ID 2a3qCRkkQ9I
InChI InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
InChIKey UATJOMSPNYCXIX-UHFFFAOYSA-N
Mol Weight 213.1 g/mol
Molecular Formula C6H3N3O6
Exact Mass 213.002185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMu1eepTe1L
Name 1,3,5-Trinitrobenzene
Alternate Name(s) Benzene,1,3,5-trinitro- s-Trinitrobenzene syn-Trinitrobenzene TNB Trinitrobenzeen Trinitrobenzene Trinitrobenzol RCRA WASTE NO. U234
CAS Registry Number 99-35-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3N3O6
InChI InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
InChIKey UATJOMSPNYCXIX-UHFFFAOYSA-N
Molecular Weight 213.105 g/mol
SMILES c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
SPLASH splash10-03di-0090000000-ee052d9f6bce949d5136
Source of Spectrum JC-518-31-0
Wiley ID 1212308