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(E)-1-Ethyl-3,5-bis(3,5-dichloro-4-methoxybenzylidene)-4-piperidone hydrochloride
SpectraBase Compound ID 5IgI6WHKUKz
InChI InChI=1S/C23H21Cl4NO3.ClH/c1-4-28-11-15(5-13-7-17(24)22(30-2)18(25)8-13)21(29)16(12-28)6-14-9-19(26)23(31-3)20(27)10-14;/h5-10H,4,11-12H2,1-3H3;1H/b15-5+,16-6+;
InChIKey HJHLQYDVPNVYMY-DURSIFSFSA-N
Mol Weight 537.7 g/mol
Molecular Formula C23H22Cl5NO3
Exact Mass 535.004232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44qvveEYC2M
Name (E)-1-Ethyl-3,5-bis(3,5-dichloro-4-methoxybenzylidene)-4-piperidone hydrochloride
Alternate Name(s) 3,5-bis((E)-3,5-dichloro-4-methoxybenzylidene)-1-ethylpiperidin-4-one hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22Cl5NO3
InChI InChI=1S/C23H21Cl4NO3.ClH/c1-4-28-11-15(5-13-7-17(24)22(30-2)18(25)8-13)21(29)16(12-28)6-14-9-19(26)23(31-3)20(27)10-14;/h5-10H,4,11-12H2,1-3H3;1H/b15-5+,16-6+;
InChIKey HJHLQYDVPNVYMY-DURSIFSFSA-N
Molecular Weight 537.698 g/mol
SMILES Cl.c1(c(cc(cc1Cl)\C=C/1CN(C\C(C1=O)=C/c1cc(c(c(c1)Cl)OC)Cl)CC)Cl)OC
SPLASH splash10-0udj-0000970000-3dbfae6405f103bf5b33
Source of Spectrum CMC-13-1120-3b
Wiley ID 1812812