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1-(4-Iodophenyl)pyrene
SpectraBase Compound ID 5tMVF09p6fA
InChI InChI=1S/C22H13I/c23-18-10-6-14(7-11-18)19-12-8-17-5-4-15-2-1-3-16-9-13-20(19)22(17)21(15)16/h1-13H
InChIKey QHTQCBJIUCJCMB-UHFFFAOYSA-N
Mol Weight 404.25 g/mol
Molecular Formula C22H13I
Exact Mass 404.006195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkQgegO7PdH
Name 1-(4-Iodophenyl)pyrene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.006195419 u
Formula C22H13I
InChI InChI=1S/C22H13I/c23-18-10-6-14(7-11-18)19-12-8-17-5-4-15-2-1-3-16-9-13-20(19)22(17)21(15)16/h1-13H
InChIKey QHTQCBJIUCJCMB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609631
Molecular Weight 404.250 g/mol
Quality 40
Reported Formula C22H13I
SMILES C1(I)=CC=C(C=C1)C1=CC=C2C3=C4C(C=C2)=CC=CC4=CC=C13
SPLASH splash10-0ufr-0140900000-7d30fdce0f36ce4f0a2a
Source of Spectrum ACI-56-SM11-2b (DOI: 10.1002/anie.201609631)
Wiley ID 1892856