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1-(1-(3-chlorophenyl)-3-(4-methoxyphenyl)prop-2-yn-1-yl)piperidine
SpectraBase Compound ID 6bPHjnl66UK
InChI InChI=1S/C21H22ClNO/c1-24-20-11-8-17(9-12-20)10-13-21(23-14-3-2-4-15-23)18-6-5-7-19(22)16-18/h5-9,11-12,16,21H,2-4,14-15H2,1H3
InChIKey JNEGFNHFLACGIH-UHFFFAOYSA-N
Mol Weight 339.87 g/mol
Molecular Formula C21H22ClNO
Exact Mass 339.138992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98dBh0rCcIc
Name 1-(1-(3-chlorophenyl)-3-(4-methoxyphenyl)prop-2-yn-1-yl)piperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO
InChI InChI=1S/C21H22ClNO/c1-24-20-11-8-17(9-12-20)10-13-21(23-14-3-2-4-15-23)18-6-5-7-19(22)16-18/h5-9,11-12,16,21H,2-4,14-15H2,1H3
InChIKey JNEGFNHFLACGIH-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra03232b
Molecular Weight 339.866 g/mol
SMILES c1(cccc(C(C#Cc2ccc(cc2)OC)N2CCCCC2)c1)Cl
SPLASH splash10-0a4i-0091000000-02919dfcff0e6b074571
Source of Spectrum RSA-4-26301/SMS6-1s
Wiley ID 1751421