For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Bromo-4-sec-butylphenol, o-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

2-Bromo-4-sec-butylphenol, o-heptafluorobutyryl-
SpectraBase Compound ID 5QrkVOAk0ct
InChI InChI=1S/C14H12BrF7O2/c1-3-7(2)8-4-5-10(9(15)6-8)24-11(23)12(16,17)13(18,19)14(20,21)22/h4-7H,3H2,1-2H3
InChIKey NUHLEASXVDCRJS-UHFFFAOYSA-N
Mol Weight 425.14 g/mol
Molecular Formula C14H12BrF7O2
Exact Mass 423.99089 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4blMPFb7ehH
Name 2-Bromo-4-sec-butylphenol, o-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.990889765 u
Formula C14H12BrF7O2
InChI InChI=1S/C14H12BrF7O2/c1-3-7(2)8-4-5-10(9(15)6-8)24-11(23)12(16,17)13(18,19)14(20,21)22/h4-7H,3H2,1-2H3
InChIKey NUHLEASXVDCRJS-UHFFFAOYSA-N
Molecular Weight 425.141 g/mol
SMILES C(CC)(C)C1=CC(Br)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818268