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7-Chloro-3,3,5-trimethyl-1-phenyl-hept-5-en-1-yne
SpectraBase Compound ID JhsNaEOr6ee
InChI InChI=1S/C16H19Cl/c1-14(10-12-17)13-16(2,3)11-9-15-7-5-4-6-8-15/h4-8,10H,12-13H2,1-3H3
InChIKey NJNDYSZLZJDJCX-UHFFFAOYSA-N
Mol Weight 246.78 g/mol
Molecular Formula C16H19Cl
Exact Mass 246.117528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mETrBFUye
Name 7-Chloro-3,3,5-trimethyl-1-phenyl-hept-5-en-1-yne
Alternate Name(s) (7-chloro-3,3,5-trimethylhept-5-en-1-yn-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19Cl
InChI InChI=1S/C16H19Cl/c1-14(10-12-17)13-16(2,3)11-9-15-7-5-4-6-8-15/h4-8,10H,12-13H2,1-3H3
InChIKey NJNDYSZLZJDJCX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19821151106
Molecular Weight 246.781 g/mol
SMILES C(#CC(CC(=CCCl)C)(C)C)c1ccccc1
SPLASH splash10-01ot-0590000000-e89faa7a45b83dcba7e7
Source of Spectrum K-115-3542-3g
Wiley ID 1791927