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2-Nitro-4-(trifluoromethyl)benzonitrile

View entire compound with spectra: 2 NMR, and 1 FTIR

2-Nitro-4-(trifluoromethyl)benzonitrile
SpectraBase Compound ID FcFQ9NetU8U
InChI InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
InChIKey BQCWLXXZTCLGSZ-UHFFFAOYSA-N
Mol Weight 216.12 g/mol
Molecular Formula C8H3F3N2O2
Exact Mass 216.014662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2IGRkBHTE1N
Name 2-Nitro-4-(trifluoromethyl)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 329835
CAS Registry Number 778-94-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3F3N2O2
InChI InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
InChIKey BQCWLXXZTCLGSZ-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006560