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3-butyl-6-chloro-1-ethoxy-isoquinoline
SpectraBase Compound ID DC3kmzuNRWn
InChI InChI=1S/C15H18ClNO/c1-3-5-6-13-10-11-9-12(16)7-8-14(11)15(17-13)18-4-2/h7-10H,3-6H2,1-2H3
InChIKey LLKAJLKXCJWHTD-UHFFFAOYSA-N
Mol Weight 263.77 g/mol
Molecular Formula C15H18ClNO
Exact Mass 263.107692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xxcqWhUTTD
Name 3-butyl-6-chloro-1-ethoxy-isoquinoline
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.107691903 u
Formula C15H18ClNO
InChI InChI=1S/C15H18ClNO/c1-3-5-6-13-10-11-9-12(16)7-8-14(11)15(17-13)18-4-2/h7-10H,3-6H2,1-2H3
InChIKey LLKAJLKXCJWHTD-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503403
Quality 916
Reported Formula C15H18NOCl
SMILES C1=CC2=C(C=C1Cl)C=C(N=C2OCC)CCCC
SPLASH splash10-00dl-0970000000-2637834fd714c337cce4
Source of Spectrum QE-22-SM30-30-1 (DOI: 10.1002/chem.201503403)
Wiley ID 1902918