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Benzeneethanamine, N-trifluoroacetyl-4-hydroxy-3-trifluoromethyl-

View entire compound with spectra: 1 FTIR

Benzeneethanamine, N-trifluoroacetyl-4-hydroxy-3-trifluoromethyl-
SpectraBase Compound ID 41xnTIRhTsR
InChI InChI=1S/C11H9F6NO2/c12-10(13,14)7-5-6(1-2-8(7)19)3-4-18-9(20)11(15,16)17/h1-2,5,19H,3-4H2,(H,18,20)
InChIKey CLQIDPQROLXJQC-UHFFFAOYSA-N
Mol Weight 301.19 g/mol
Molecular Formula C11H9F6NO2
Exact Mass 301.053748 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DgpkdYqZv1q
Name Benzeneethanamine, N-trifluoroacetyl-4-hydroxy-3-trifluoromethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.053747510 u
Formula C11H9F6NO2
InChI InChI=1S/C11H9F6NO2/c12-10(13,14)7-5-6(1-2-8(7)19)3-4-18-9(20)11(15,16)17/h1-2,5,19H,3-4H2,(H,18,20)
InChIKey CLQIDPQROLXJQC-UHFFFAOYSA-N
Molecular Weight 301.188 g/mol
SMILES C1=C(C=C(C(=C1)O)C(F)(F)F)CCNC(=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841443