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

*Links on SpectraBase are not permalinks.
1,3-Benzodioxole-5-ethanamine, 6-[2-(3,4-dimethoxyphenyl)ethenyl]-N,N-dimethyl-, (E)-
SpectraBase Compound ID CJ1ZRQWosje
InChI InChI=1S/C21H25NO4/c1-22(2)10-9-17-13-21-20(25-14-26-21)12-16(17)7-5-15-6-8-18(23-3)19(11-15)24-4/h5-8,11-13H,9-10,14H2,1-4H3/b7-5+
InChIKey WPWPVUJQFRODRX-FNORWQNLSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 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 FOV0fEd4UP7
Name 1,3-Benzodioxole-5-ethanamine, 6-[2-(3,4-dimethoxyphenyl)ethenyl]-N,N-dimethyl-, (E)-
CAS Registry Number 50657-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-22(2)10-9-17-13-21-20(25-14-26-21)12-16(17)7-5-15-6-8-18(23-3)19(11-15)24-4/h5-8,11-13H,9-10,14H2,1-4H3/b7-5+
InChIKey WPWPVUJQFRODRX-FNORWQNLSA-N
Molecular Weight 355.434 g/mol
SMILES COc1c(OC)cc(cc1)\C=C\c1cc2c(OCO2)cc1CCN(C)C
SPLASH splash10-0a4i-9314000000-55576cba2b80c69743eb
Source of Spectrum D3-1980-758-24
Synonyms 2-(6-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzodioxol-5-yl)-N,N-dimethylethanamine (E)-Escholinine methine 2-[6-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzodioxol-5-yl]-N,N-dimethyl-ethanamine 2-[6-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-benzodioxol-5-yl]ethyl-dimethyl-amine Escholinine methine Romneine methine 2-[6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzodioxol-5-yl]-N,N-dimethylethanamine
Wiley ID 1345316