| SpectraBase Spectrum ID |
GHL4PT8LUg6 |
| Name |
bis(4-Nitrobenzyl) (E,E)-3-isopropyl-2,4-hexadienedioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.137615668 u |
| Formula |
C23H22N2O8 |
| InChI |
InChI=1S/C23H22N2O8/c1-16(2)19(13-23(27)33-15-18-5-10-21(11-6-18)25(30)31)7-12-22(26)32-14-17-3-8-20(9-4-17)24(28)29/h3-13,16H,14-15H2,1-2H3/b12-7+,19-13- |
| InChIKey |
JWXSMPNZJSIEEO-DTLUPDQHSA-N |
| Molecular Weight |
454.435 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(=CC1)COC(\C=C\(\C=C\C(=O)OCC1=CC=C(N(=O)=O)C=C1)C(C)C)=O |
