SpectraBase Spectrum ID |
FWmftYOgAin |
Name |
[4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](1''-hydroxyethyl)methyl}carboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
511.195464898 u |
Formula |
C26H29N3O8 |
InChI |
InChI=1S/C26H29N3O8/c1-4-35-24(32)21(25(33)36-5-2)15-27-23(17(3)30)26(34)37-16-22(31)18-11-13-20(14-12-18)29-28-19-9-7-6-8-10-19/h6-15,17,23,27,30H,4-5,16H2,1-3H3/b29-28+ |
InChIKey |
IWHSVSRLLIDIHP-ZQHSETAFSA-N |
Molecular Weight |
511.531 g/mol |
SMILES |
C(=CNC(C(OCC(C=1C=CC(\N=N\C2=CC=CC=C2)=CC1)=O)=O)C(O)C)(C(=O)OCC)C(=O)OCC |