| SpectraBase Spectrum ID |
IBjnz16otoB |
| Name |
Malonic acid (4,5-Dimethoxy-2-nitrobenzyl) ester (3',5'-Dimethoxybenzoin) ester |
| Alternate Name(s) |
2-(4,5-dimethoxy-2-nitrobenzyl)-3-[2-(3,5-dimethoxyphenyl)-2-oxo-1-phenylethoxy]-3-oxopropanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H27NO11 |
| InChI |
InChI=1S/C28H27NO11/c1-36-19-10-18(11-20(14-19)37-2)25(30)26(16-8-6-5-7-9-16)40-28(33)21(27(31)32)12-17-13-23(38-3)24(39-4)15-22(17)29(34)35/h5-11,13-15,21,26H,12H2,1-4H3,(H,31,32) |
| InChIKey |
OVPIMTXPOPRKMH-UHFFFAOYSA-N |
| Molecular Weight |
553.520 g/mol |
| SMILES |
OC(C(Cc1c(N(=O)=O)cc(c(OC)c1)OC)C(OC(C(c1cc(OC)cc(c1)OC)=O)c1ccccc1)=O)=O |
| SPLASH |
splash10-0aos-0900000000-f130ee0c682ab94a83af |
| Source of Spectrum |
J-67-5574-12 |
| Wiley ID |
1570456 |
