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

*Links on SpectraBase are not permalinks.
2-(3,4,5-Trimethoxybenzyl)nicotinic acid ethyl ester
SpectraBase Compound ID A4VT2S3lSAr
InChI InChI=1S/C18H21NO5/c1-5-24-18(20)13-7-6-8-19-14(13)9-12-10-15(21-2)17(23-4)16(11-12)22-3/h6-8,10-11H,5,9H2,1-4H3
InChIKey VGWZIKNTTMZNTC-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 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 7pv5sO9jTdu
Name 2-(3,4,5-Trimethoxybenzyl)nicotinic acid ethyl ester
Alternate Name(s) Ethyl 2-(3,4,5-trimethoxybenzyl)nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-5-24-18(20)13-7-6-8-19-14(13)9-12-10-15(21-2)17(23-4)16(11-12)22-3/h6-8,10-11H,5,9H2,1-4H3
InChIKey VGWZIKNTTMZNTC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200800161
Molecular Weight 331.368 g/mol
SMILES c1(cc(Cc2c(cccn2)C(OCC)=O)cc(c1OC)OC)OC
SPLASH splash10-00lr-0029000000-3b858c398a2d89dc820f
Source of Spectrum CAJ-3-1689-7a
Wiley ID 1775093