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3,11-Diheptyloxybenzo[c]benzo[a]phenanthrene
SpectraBase Compound ID 8LGNMk9Rofi
InChI InChI=1S/C36H42O2/c1-3-5-7-9-13-24-37-27-20-21-33-34(26-27)29-17-12-11-16-28(29)32-23-22-30-31(36(32)33)18-15-19-35(30)38-25-14-10-8-6-4-2/h11-12,15-23,26H,3-10,13-14,24-25H2,1-2H3
InChIKey GJXNCUSJUBPTOQ-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C36H42O2
Exact Mass 506.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JY4K6Y8iu0m
Name 3,11-Diheptyloxybenzo[c]benzo[a]phenanthrene
CAS Registry Number 114468-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42O2
InChI InChI=1S/C36H42O2/c1-3-5-7-9-13-24-37-27-20-21-33-34(26-27)29-17-12-11-16-28(29)32-23-22-30-31(36(32)33)18-15-19-35(30)38-25-14-10-8-6-4-2/h11-12,15-23,26H,3-10,13-14,24-25H2,1-2H3
InChIKey GJXNCUSJUBPTOQ-UHFFFAOYSA-N
Molecular Weight 506.730 g/mol
SMILES c12c3c(cc(cc3)OCCCCCCC)c3c(c1ccc1c2cccc1OCCCCCCC)cccc3
SPLASH splash10-0a4i-9000010000-43e9f8a9f0d8a156d96b
Source of Spectrum K-121-1614-7
Synonyms 3,11-Bis(heptyloxy)benzo[g]chrysene
Wiley ID 1399974