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2-(Chloromethyl)-1-[3'-(3'',4''-dimethoxyphenyl)prop-2'-ynyl]-piperidine
SpectraBase Compound ID IgrnEMSRIeL
InChI InChI=1S/C17H22ClNO2/c1-20-16-9-8-14(12-17(16)21-2)6-5-11-19-10-4-3-7-15(19)13-18/h8-9,12,15H,3-4,7,10-11,13H2,1-2H3
InChIKey UMNWUDFQRLXZPN-UHFFFAOYSA-N
Mol Weight 307.82 g/mol
Molecular Formula C17H22ClNO2
Exact Mass 307.133907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHBBdgMfj4t
Name 2-(Chloromethyl)-1-[3'-(3'',4''-dimethoxyphenyl)prop-2'-ynyl]-piperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22ClNO2
InChI InChI=1S/C17H22ClNO2/c1-20-16-9-8-14(12-17(16)21-2)6-5-11-19-10-4-3-7-15(19)13-18/h8-9,12,15H,3-4,7,10-11,13H2,1-2H3
InChIKey UMNWUDFQRLXZPN-UHFFFAOYSA-N
Molecular Weight 307.821 g/mol
SMILES C(#Cc1cc(OC)c(cc1)OC)CN1C(CCl)CCCC1
SPLASH splash10-056r-0941000000-1d09683bbf28b8e48ecf
Source of Spectrum B-57-546-28
Synonyms 2-(chloromethyl)-1-[3-(3,4-dimethoxyphenyl)-2-propynyl]piperidine
Wiley ID 1551468