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

*Links on SpectraBase are not permalinks.
Trimethyl 6-(benzoylamino)-3-[(methoxycarbonyl)methyl]-benzene-1,2,4-tricarboxylate
SpectraBase Compound ID FV8S5AU3XiJ
InChI InChI=1S/C22H21NO9/c1-29-16(24)11-13-14(20(26)30-2)10-15(23-19(25)12-8-6-5-7-9-12)18(22(28)32-4)17(13)21(27)31-3/h5-10H,11H2,1-4H3,(H,23,25)
InChIKey UWXSMMRLCUKPKR-UHFFFAOYSA-N
Mol Weight 443.41 g/mol
Molecular Formula C22H21NO9
Exact Mass 443.121631 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 LiC8pC6ur49
Name Trimethyl 6-(benzoylamino)-3-[(methoxycarbonyl)methyl]-benzene-1,2,4-tricarboxylate
Alternate Name(s) trimethyl 6-(benzoylamino)-3-(2-methoxy-2-oxoethyl)-1,2,4-benzenetricarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO9
InChI InChI=1S/C22H21NO9/c1-29-16(24)11-13-14(20(26)30-2)10-15(23-19(25)12-8-6-5-7-9-12)18(22(28)32-4)17(13)21(27)31-3/h5-10H,11H2,1-4H3,(H,23,25)
InChIKey UWXSMMRLCUKPKR-UHFFFAOYSA-N
Molecular Weight 443.408 g/mol
SMILES N(c1c(c(c(c(c1)C(=O)OC)CC(=O)OC)C(=O)OC)C(=O)OC)C(c1ccccc1)=O
SPLASH splash10-0a4i-0900100000-6a7f1e67f4b9b61626fe
Source of Spectrum Y2-71-676-4
Wiley ID 1587545