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

*Links on SpectraBase are not permalinks.
1,3-dichloro-6-octylisoquinoline
SpectraBase Compound ID HV8UctdOOYS
InChI InChI=1S/C17H21Cl2N/c1-2-3-4-5-6-7-8-13-9-10-15-14(11-13)12-16(18)20-17(15)19/h9-12H,2-8H2,1H3
InChIKey HUWUCHOOOXFKEC-UHFFFAOYSA-N
Mol Weight 310.27 g/mol
Molecular Formula C17H21Cl2N
Exact Mass 309.105105 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 7WrEVZd22Lx
Name 1,3-dichloro-6-octylisoquinoline
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.105105080 u
Formula C17H21Cl2N
InChI InChI=1S/C17H21Cl2N/c1-2-3-4-5-6-7-8-13-9-10-15-14(11-13)12-16(18)20-17(15)19/h9-12H,2-8H2,1H3
InChIKey HUWUCHOOOXFKEC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 310.268 g/mol
Quality 55
Reported Formula C17H21Cl2N
SMILES C=1(Cl)N=C(C2=C(C1)C=C(C=C2)CCCCCCCC)Cl
SPLASH splash10-03di-0192000000-f12fb9eefe99c0e728d4
Source of Spectrum ACI-56-SM15-4n (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.66 (Hexane/Et2O, 9:1)
Wiley ID 1895996