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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 9mVZSE13Wyy
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
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 c1(N(=O)=O)cc(N(=O)=O)cc(N(=O)=O)c1
SPLASH splash10-014i-0900000000-8258e19031f25477929d
Source of Spectrum O-35-887-0
Wiley ID 763530