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beta,2-Dinitrostyrene

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

beta,2-Dinitrostyrene
SpectraBase Compound ID BI2KKvIVEtd
InChI InChI=1S/C8H6N2O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H/b6-5+
InChIKey INIQBBVYBCGEIX-AATRIKPKSA-N
Mol Weight 194.15 g/mol
Molecular Formula C8H6N2O4
Exact Mass 194.032757 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1c0QEafygkt
Name beta,2-Dinitrostyrene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 400009
CAS Registry Number 5670-67-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O4
InChI 1S/C8H6N2O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H/b6-5+
InChIKey INIQBBVYBCGEIX-AATRIKPKSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-nitro-2-(2-nitroethenyl)benzene CTK5A5598
Wiley ID SIAL_13CNMR_008788