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1-(2-phenanthryl)-6-phenylpyrene
SpectraBase Compound ID 9WGrXYT9ZM9
InChI InChI=1S/C36H22/c1-2-6-23(7-3-1)30-17-12-25-15-21-34-32(18-13-26-14-20-33(30)35(25)36(26)34)28-16-19-31-27(22-28)11-10-24-8-4-5-9-29(24)31/h1-22H
InChIKey LNKJPNMRGMMSBE-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C36H22
Exact Mass 454.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcjxXDf7zFQ
Name 1-(2-phenanthryl)-6-phenylpyrene
CAS Registry Number 105817-82-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H22
InChI InChI=1S/C36H22/c1-2-6-23(7-3-1)30-17-12-25-15-21-34-32(18-13-26-14-20-33(30)35(25)36(26)34)28-16-19-31-27(22-28)11-10-24-8-4-5-9-29(24)31/h1-22H
InChIKey LNKJPNMRGMMSBE-UHFFFAOYSA-N
Molecular Weight 454.572 g/mol
SMILES c12c3c4c(-c5ccccc5)ccc3ccc1c(-c1cc3ccc5c(c3cc1)cccc5)ccc2cc4
SPLASH splash10-0udi-0000900000-5bda73aca20aafdb69eb
Source of Spectrum K-120-249-3
Wiley ID 1388966