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

*Links on SpectraBase are not permalinks.

1-Tert-butyl-4-(1-fluoro-2-iodoethyl)benzene

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

1-Tert-butyl-4-(1-fluoro-2-iodoethyl)benzene
SpectraBase Compound ID I3ChiC7W7SG
InChI InChI=1S/C12H16FI/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14/h4-7,11H,8H2,1-3H3
InChIKey KHFJMIPRNBCBGJ-UHFFFAOYSA-N
Mol Weight 306.16 g/mol
Molecular Formula C12H16FI
Exact Mass 306.028074 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 EnvM9JX6CFy
Name 1-Tert-butyl-4-(1-fluoro-2-iodoethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.028073678 u
Formula C12H16FI
InChI InChI=1S/C12H16FI/c1-12(2,3)10-6-4-9(5-7-10)11(13)8-14/h4-7,11H,8H2,1-3H3
InChIKey KHFJMIPRNBCBGJ-UHFFFAOYSA-N
Molecular Weight 306.163 g/mol
SMILES C=1(C=CC(=CC1)C(CI)F)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934716