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2-(4-Trifluoromethylphenyl)ethylamine, ac derivative

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2-(4-Trifluoromethylphenyl)ethylamine, ac derivative
SpectraBase Compound ID GTlmS0AnRzI
InChI InChI=1S/C11H12F3NO/c1-8(16)15-7-6-9-2-4-10(5-3-9)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey TYJGVPBXNRCDBD-UHFFFAOYSA-N
Mol Weight 231.22 g/mol
Molecular Formula C11H12F3NO
Exact Mass 231.087098 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7bchLJr6Yko
Name 2-(4-Trifluoromethylphenyl)ethylamine, ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.087098498 u
Formula C11H12F3NO
InChI InChI=1S/C11H12F3NO/c1-8(16)15-7-6-9-2-4-10(5-3-9)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey TYJGVPBXNRCDBD-UHFFFAOYSA-N
Molecular Weight 231.218 g/mol
SMILES C(F)(F)(F)C1=CC=C(C=C1)CCNC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887465