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5-Amino-2-cyanobenzotrifluoride

View entire compound with spectra: 4 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

5-Amino-2-cyanobenzotrifluoride
SpectraBase Compound ID 7izETFnFTWm
InChI InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
InChIKey PMDYLCUKSLBUHO-UHFFFAOYSA-N
Mol Weight 186.14 g/mol
Molecular Formula C8H5F3N2
Exact Mass 186.040483 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KpvL1ITKPqc
Name 4-AMINO-alpha,alpha,alpha-TRIFLUORO-o-TOLUNITRILE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 654-70-6
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F3N2
InChI InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
InChIKey PMDYLCUKSLBUHO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 142C
Molecular Weight 186.14
Solvent DMSO-d6; Reference=TMS; Temperature 297K