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9-isoPropyl-6-[3-(1-pyrenylethynyl)phenyl]-9H-purine
SpectraBase Compound ID 5QszBOkj21d
InChI InChI=1S/C32H22N4/c1-20(2)36-19-35-31-30(33-18-34-32(31)36)26-8-3-5-21(17-26)9-10-22-11-12-25-14-13-23-6-4-7-24-15-16-27(22)29(25)28(23)24/h3-8,11-20H,1-2H3
InChIKey ILORHSNQWDOCMP-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C32H22N4
Exact Mass 462.184447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hj8lkFiKFGK
Name 9-isoPropyl-6-[3-(1-pyrenylethynyl)phenyl]-9H-purine
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.184446724 u
Formula C32H22N4
InChI InChI=1S/C32H22N4/c1-20(2)36-19-35-31-30(33-18-34-32(31)36)26-8-3-5-21(17-26)9-10-22-11-12-25-14-13-23-6-4-7-24-15-16-27(22)29(25)28(23)24/h3-8,11-20H,1-2H3
InChIKey ILORHSNQWDOCMP-UHFFFAOYSA-N
Instrument Name JEOL AccuTof
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609014
Molecular Weight 462.556 g/mol
Reported Formula C32H22N4
SMILES C(C)(C)N1C=NC=2C1=NC=NC2C1=CC(=CC=C1)C#CC1=CC=C2C3=C4C(C=C2)=CC=CC4=CC=C13
SPLASH splash10-03di-0000900000-1042158cc3be4c0d31ec
Source of Spectrum ACI-56-SM23-10b (DOI: 10.1002/anie.201609014)
Wiley ID 1892841