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1,4-bis(2-ethylhexyl)-2-[2-(4-ethynylphenyl)ethynyl]-5-iodo-benzene
SpectraBase Compound ID CugUn1lhXjG
InChI InChI=1S/C32H41I/c1-6-11-13-26(9-4)21-30-24-32(33)31(22-27(10-5)14-12-7-2)23-29(30)20-19-28-17-15-25(8-3)16-18-28/h3,15-18,23-24,26-27H,6-7,9-14,21-22H2,1-2,4-5H3
InChIKey QZQKWCUVQJCWAD-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C32H41I
Exact Mass 552.225296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CiKcvTKyVV
Name 1,4-bis(2-ethylhexyl)-2-[2-(4-ethynylphenyl)ethynyl]-5-iodo-benzene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.225296320 u
Formula C32H41I
InChI InChI=1S/C32H41I/c1-6-11-13-26(9-4)21-30-24-32(33)31(22-27(10-5)14-12-7-2)23-29(30)20-19-28-17-15-25(8-3)16-18-28/h3,15-18,23-24,26-27H,6-7,9-14,21-22H2,1-2,4-5H3
InChIKey QZQKWCUVQJCWAD-UHFFFAOYSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702039
Molecular Weight 552.584 g/mol
Reported Formula C32H41I
SMILES C1=C(C=CC(=C1)C#CC1=CC(=C(C=C1CC(CCCC)CC)I)CC(CCCC)CC)C#C
SPLASH splash10-0udi-0002190000-06f962f35996e48ea6e1
Source of Spectrum QE-23-SM6-10 (DOI: 10.1002/chem.201702039)
Wiley ID 1905552