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

*Links on SpectraBase are not permalinks.
3-[4-[2-[2-(3-carbomethoxy-4-nitro-phenoxy)-3,6-dimethoxy-phenyl]ethyl]phenoxy]-4-methoxy-benzoic acid methyl ester
SpectraBase Compound ID ATP4Rrct08s
InChI InChI=1S/C33H31NO11/c1-39-27-16-17-29(41-3)31(45-23-12-14-26(34(37)38)25(19-23)33(36)43-5)24(27)13-8-20-6-10-22(11-7-20)44-30-18-21(32(35)42-4)9-15-28(30)40-2/h6-7,9-12,14-19H,8,13H2,1-5H3
InChIKey MJINANSSYSGTBM-UHFFFAOYSA-N
Mol Weight 617.6 g/mol
Molecular Formula C33H31NO11
Exact Mass 617.189711 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 LgB8t7J6Z2q
Name 3-[4-[2-[2-(3-carbomethoxy-4-nitro-phenoxy)-3,6-dimethoxy-phenyl]ethyl]phenoxy]-4-methoxy-benzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H31NO11
InChI InChI=1S/C33H31NO11/c1-39-27-16-17-29(41-3)31(45-23-12-14-26(34(37)38)25(19-23)33(36)43-5)24(27)13-8-20-6-10-22(11-7-20)44-30-18-21(32(35)42-4)9-15-28(30)40-2/h6-7,9-12,14-19H,8,13H2,1-5H3
InChIKey MJINANSSYSGTBM-UHFFFAOYSA-N
Molecular Weight 617.607 g/mol
SMILES c1(c(N(=O)=O)ccc(Oc2c(CCc3ccc(Oc4cc(C(=O)OC)ccc4OC)cc3)c(OC)ccc2OC)c1)C(=O)OC
SPLASH splash10-00di-0090001000-2e3d26f2eedb3358cbb3
Source of Spectrum SO-0-1406-11
Synonyms 3-[4-[2-[3,6-dimethoxy-2-(3-methoxycarbonyl-4-nitrophenoxy)phenyl]ethyl]phenoxy]-4-methoxybenzoic acid methyl ester methyl 3-[4-[2-[3,6-dimethoxy-2-(3-methoxycarbonyl-4-nitro-phenoxy)phenyl]ethyl]phenoxy]-4-methoxy-benzoate
Wiley ID 877979