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4-Methylbenzylamine,N-heptafluorobutyryl-

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

4-Methylbenzylamine,N-heptafluorobutyryl-
SpectraBase Compound ID xsl9Nv9Eo6
InChI InChI=1S/C12H10F7NO/c1-7-2-4-8(5-3-7)6-20-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3,(H,20,21)
InChIKey AEVRSDTWLLEJFQ-UHFFFAOYSA-N
Mol Weight 317.21 g/mol
Molecular Formula C12H10F7NO
Exact Mass 317.065061 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fs6nFnJSMRk
Name 4-Methylbenzylamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.065061086 u
Formula C12H10F7NO
InChI InChI=1S/C12H10F7NO/c1-7-2-4-8(5-3-7)6-20-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3,(H,20,21)
InChIKey AEVRSDTWLLEJFQ-UHFFFAOYSA-N
Molecular Weight 317.207 g/mol
SMILES C1(=CC=C(C=C1)C)CNC(=O)C(C(F)(C(F)(F)F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800321