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Trifluoroacetic acid, 3,6-dimethyl-3-octyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Trifluoroacetic acid, 3,6-dimethyl-3-octyl ester
SpectraBase Compound ID Ce48A53zHec
InChI InChI=1S/C12H21F3O2/c1-5-9(3)7-8-11(4,6-2)17-10(16)12(13,14)15/h9H,5-8H2,1-4H3
InChIKey MFNOTYOEFQSGSP-UHFFFAOYSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H21F3O2
Exact Mass 254.149364 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HcvsHWTKqbo
Name Trifluoroacetic acid, 3,6-dimethyl-3-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.149364403 u
Formula C12H21F3O2
InChI InChI=1S/C12H21F3O2/c1-5-9(3)7-8-11(4,6-2)17-10(16)12(13,14)15/h9H,5-8H2,1-4H3
InChIKey MFNOTYOEFQSGSP-UHFFFAOYSA-N
Molecular Weight 254.293 g/mol
SMILES C(F)(F)(F)C(OC(CCC(CC)C)(CC)C)=O
Spectrum/Structure Validation Score (Raman) 0.935353