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Trifluoroacetic acid, 3-phenyl-1-propyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

Trifluoroacetic acid, 3-phenyl-1-propyl ester
SpectraBase Compound ID 9bzA6Tr5fpO
InChI InChI=1S/C11H11F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey NEKCJNCVAWRBOJ-UHFFFAOYSA-N
Mol Weight 232.2 g/mol
Molecular Formula C11H11F3O2
Exact Mass 232.071114 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5DH273xCv6Z
Name Trifluoroacetic acid, 3-phenyl-1-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.071114081 u
Formula C11H11F3O2
InChI InChI=1S/C11H11F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey NEKCJNCVAWRBOJ-UHFFFAOYSA-N
Molecular Weight 232.202 g/mol
SMILES C(F)(F)(F)C(OCCCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.97971