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Chrysene, 6-octyl-
SpectraBase Compound ID 1yrx9L1JtnT
InChI InChI=1S/C26H28/c1-2-3-4-5-6-7-13-21-19-26-22-14-9-8-12-20(22)17-18-25(26)24-16-11-10-15-23(21)24/h8-12,14-19H,2-7,13H2,1H3
InChIKey KTSUECCHGKCKHX-UHFFFAOYSA-N
Mol Weight 340.51 g/mol
Molecular Formula C26H28
Exact Mass 340.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Pwd79dmJpI
Name Chrysene, 6-octyl-
CAS Registry Number 56248-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28
InChI InChI=1S/C26H28/c1-2-3-4-5-6-7-13-21-19-26-22-14-9-8-12-20(22)17-18-25(26)24-16-11-10-15-23(21)24/h8-12,14-19H,2-7,13H2,1H3
InChIKey KTSUECCHGKCKHX-UHFFFAOYSA-N
Molecular Weight 340.510 g/mol
SMILES CCCCCCCCc1cc2c(ccc3c2cccc3)c2c1cccc2
SPLASH splash10-0006-1093000000-a0cf4b72740ea01e3ca7
Source of Spectrum EP-3871-0-0
Synonyms 6-Octylchrysene 6-n-Octylchrysene
Wiley ID 1335693