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2-Tert-butyl-4-methylphenol, o-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

2-Tert-butyl-4-methylphenol, o-heptafluorobutyryl-
SpectraBase Compound ID 70Sb7Kcmrp3
InChI InChI=1S/C15H15F7O2/c1-8-5-6-10(9(7-8)12(2,3)4)24-11(23)13(16,17)14(18,19)15(20,21)22/h5-7H,1-4H3
InChIKey JTYJYXFRKHZLHL-UHFFFAOYSA-N
Mol Weight 360.27 g/mol
Molecular Formula C15H15F7O2
Exact Mass 360.096027 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7VRJnwuesvl
Name 2-Tert-butyl-4-methylphenol, o-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.096026862 u
Formula C15H15F7O2
InChI InChI=1S/C15H15F7O2/c1-8-5-6-10(9(7-8)12(2,3)4)24-11(23)13(16,17)14(18,19)15(20,21)22/h5-7H,1-4H3
InChIKey JTYJYXFRKHZLHL-UHFFFAOYSA-N
Molecular Weight 360.272 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817146