For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,3,4,5,7-pentachloro-1,6-diphenyl-1,3,5-cycloheptatriene
SpectraBase Compound ID 6d86aEb9jP1
InChI InChI=1S/C19H11Cl5/c20-15-13(11-7-3-1-4-8-11)16(21)18(23)19(24)17(22)14(15)12-9-5-2-6-10-12/h1-10,15H
InChIKey ICTJHBOHEWBENO-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C19H11Cl5
Exact Mass 413.930339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E4hUrwTFMJT
Name 2,3,4,5,7-pentachloro-1,6-diphenyl-1,3,5-cycloheptatriene
CAS Registry Number 114379-19-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H11Cl5
InChI InChI=1S/C19H11Cl5/c20-15-13(11-7-3-1-4-8-11)16(21)18(23)19(24)17(22)14(15)12-9-5-2-6-10-12/h1-10,15H
InChIKey ICTJHBOHEWBENO-UHFFFAOYSA-N
Molecular Weight 416.562 g/mol
SMILES C=1(C(=C(C(Cl)=C(C(C1c1ccccc1)Cl)c1ccccc1)Cl)Cl)Cl
SPLASH splash10-014i-0300900000-7ea0f67173e664d02a5f
Source of Spectrum K-121-1599-20
Wiley ID 1375218