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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cCQqjQ6bGh
Name 1-Iodo-2-{[3-(4-methylphenyl)prop-2-yn-1-yl]oxy}benzene
Appearance Brown oily substance
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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
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201700341
Molecular Weight 348.183 g/mol
Quality 39
Reported Formula C16H13IO
SMILES C1(I)=C(C=CC=C1)OCC#CC1=CC=C(C=C1)C
SPLASH splash10-004i-0920000000-d85314e7a66dadd3ce56
Source of Spectrum ACI-56-SM11-30 (DOI: 10.1002/anie.201700341)
Wiley ID 1895851