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Isoquinoline, 3-(1-chloro-2,2-dimethylpropyl)-1,4-diphenyl-
SpectraBase Compound ID 9d4LpcnzJ4L
InChI InChI=1S/C26H24ClN/c1-26(2,3)25(27)24-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)23(28-24)19-14-8-5-9-15-19/h4-17,25H,1-3H3
InChIKey HCJDDIGNOMQOJX-UHFFFAOYSA-N
Mol Weight 385.94 g/mol
Molecular Formula C26H24ClN
Exact Mass 385.159727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jfVdF3n41R
Name Isoquinoline, 3-(1-chloro-2,2-dimethylpropyl)-1,4-diphenyl-
CAS Registry Number 50805-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24ClN
InChI InChI=1S/C26H24ClN/c1-26(2,3)25(27)24-22(18-12-6-4-7-13-18)20-16-10-11-17-21(20)23(28-24)19-14-8-5-9-15-19/h4-17,25H,1-3H3
InChIKey HCJDDIGNOMQOJX-UHFFFAOYSA-N
Molecular Weight 385.938 g/mol
SMILES c1(nc(-c2ccccc2)c2c(c1-c1ccccc1)cccc2)C(C(C)(C)C)Cl
SPLASH splash10-004m-0089000000-89dcfc37dc6098c4efe8
Source of Spectrum J-9-2035-12
Synonyms 3-(1-Chloro-2,2-dimethylpropyl)-1,4-diphenylisoquinoline 3-Chloroneopentyl-1,4-diphenylisoquinoline
Wiley ID 1362330