For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-1-Ethyl-3,5-bis(3,5-dibromo-4-methoxybenzylidene)-4-piperidone hydrochloride
SpectraBase Compound ID GUBqPgtU1OR
InChI InChI=1S/C23H21Br4NO3.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 XIOKSRYWQKQBRM-DURSIFSFSA-N
Mol Weight 715.5 g/mol
Molecular Formula C23H22Br4ClNO3
Exact Mass 710.802173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2n9Y6ZI2O4P
Name (E)-1-Ethyl-3,5-bis(3,5-dibromo-4-methoxybenzylidene)-4-piperidone hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22Br4ClNO3
InChI InChI=1S/C23H21Br4NO3.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 XIOKSRYWQKQBRM-DURSIFSFSA-N
Molecular Weight 715.502 g/mol
SMILES Cl.c1(c(cc(cc1Br)\C=C/1CN(C\C(C1=O)=C/c1cc(c(c(c1)Br)OC)Br)CC)Br)OC
SPLASH splash10-004i-0000009000-6009ad3fc7cce6dd2828
Source of Spectrum CMC-13-1121-3d
Synonyms 3,5-bis((E)-3,5-dibromo-4-methoxybenzylidene)-1-ethylpiperidin-4-one hydrochloride
Wiley ID 1812814