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4-Tert-butyl-2-iodo-1-[(prop-2-en-1-yl)oxy]benzene

View entire compound with spectra: 1 FTIR

4-Tert-butyl-2-iodo-1-[(prop-2-en-1-yl)oxy]benzene
SpectraBase Compound ID 8GMJpM2QUSb
InChI InChI=1S/C13H17IO/c1-5-8-15-12-7-6-10(9-11(12)14)13(2,3)4/h5-7,9H,1,8H2,2-4H3
InChIKey PUFQVKLPGXJUEG-UHFFFAOYSA-N
Mol Weight 316.18 g/mol
Molecular Formula C13H17IO
Exact Mass 316.03241 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EBjH3VI3tj3
Name 4-Tert-butyl-2-iodo-1-[(prop-2-en-1-yl)oxy]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.032410166 u
Formula C13H17IO
InChI InChI=1S/C13H17IO/c1-5-8-15-12-7-6-10(9-11(12)14)13(2,3)4/h5-7,9H,1,8H2,2-4H3
InChIKey PUFQVKLPGXJUEG-UHFFFAOYSA-N
Molecular Weight 316.182 g/mol
SMILES C1(=C(C=C(C=C1)C(C)(C)C)I)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95378