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1-Iodo-2-(3-p-tolylprop-2-ynyloxy)benzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-Iodo-2-(3-p-tolylprop-2-ynyloxy)benzene
SpectraBase Compound ID 6wqohG0CnKj
InChI InChI=1S/C16H13IO/c1-13-8-10-14(11-9-13)5-4-12-18-16-7-3-2-6-15(16)17/h2-3,6-11H,12H2,1H3
InChIKey BDARIAIMDAYVDJ-UHFFFAOYSA-N
Mol Weight 348.18 g/mol
Molecular Formula C16H13IO
Exact Mass 348.00111 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DFwMtYqtsyS
Name 1-Iodo-2-(3-p-tolylprop-2-ynyloxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.001110038 u
Formula C16H13IO
InChI InChI=1S/C16H13IO/c1-13-8-10-14(11-9-13)5-4-12-18-16-7-3-2-6-15(16)17/h2-3,6-11H,12H2,1H3
InChIKey BDARIAIMDAYVDJ-UHFFFAOYSA-N
Molecular Weight 348.183 g/mol
SMILES C=1C=C(C(=CC1)OCC#CC1=CC=C(C=C1)C)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961891