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4'-NITRO-alpha,alpha,alpha-TRIFLUORO-m-ISOVALEROTOLUIDIDE
SpectraBase Compound ID 91SQJiY4zXL
InChI InChI=1S/C12H13F3N2O3/c1-7(2)5-11(18)16-8-3-4-10(17(19)20)9(6-8)12(13,14)15/h3-4,6-7H,5H2,1-2H3,(H,16,18)
InChIKey AZIKTHQZOCPCIR-UHFFFAOYSA-N
Mol Weight 290.24 g/mol
Molecular Formula C12H13F3N2O3
Exact Mass 290.087827 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4gXMYn0yOJ
Name 4'-NITRO-alpha,alpha,alpha-TRIFLUORO-m-ISOVALEROTOLUIDIDE
Source of Sample J. W. Baker, Monsanto Company, Organic Chemicals Division, St. Louis, Missouri
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3N2O3
InChI InChI=1S/C12H13F3N2O3/c1-7(2)5-11(18)16-8-3-4-10(17(19)20)9(6-8)12(13,14)15/h3-4,6-7H,5H2,1-2H3,(H,16,18)
InChIKey AZIKTHQZOCPCIR-UHFFFAOYSA-N
Literature Reference JMCH 10, 93(1967)
Melting Point 103-104C
Molecular Weight 290.247009
Synonyms M-ISOVALEROTOLUIDIDE, 4*-NITRO-A,A,A- TRIFLUORO-,
Technique KBr WAFER