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2-Ethylphenol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

2-Ethylphenol, heptafluorobutyrate
SpectraBase Compound ID J3das0iF5Wy
InChI InChI=1S/C12H9F7O2/c1-2-7-5-3-4-6-8(7)21-9(20)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3
InChIKey ZBAIQHHEGVENCV-UHFFFAOYSA-N
Mol Weight 318.19 g/mol
Molecular Formula C12H9F7O2
Exact Mass 318.049077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7zY46XwgZyh
Name 2-Ethylphenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.049076669 u
Formula C12H9F7O2
InChI InChI=1S/C12H9F7O2/c1-2-7-5-3-4-6-8(7)21-9(20)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3
InChIKey ZBAIQHHEGVENCV-UHFFFAOYSA-N
Molecular Weight 318.191 g/mol
SMILES C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959625