| SpectraBase Spectrum ID |
5mKvUP8DDK3 |
| Name |
Sebacic acid, isobutyl 4-methyl-3-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.230787781 u |
| Formula |
C22H33NO6 |
| InChI |
InChI=1S/C22H33NO6/c1-17(2)15-28-21(24)10-8-6-4-5-7-9-11-22(25)29-16-19-13-12-18(3)20(14-19)23(26)27/h12-14,17H,4-11,15-16H2,1-3H3 |
| InChIKey |
LUYZVOLEFVYXHI-UHFFFAOYSA-N |
| Molecular Weight |
407.507 g/mol |
| SMILES |
C(CCCCCCC(OCC(C)C)=O)CC(OCC1=CC(=C(C=C1)C)N(=O)=O)=O |
