| SpectraBase Spectrum ID |
9qA936ObbwB |
| Name |
Sebacic acid, isobutyl 4-methoxy-3-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.225702400 u |
| Formula |
C22H33NO7 |
| InChI |
InChI=1S/C22H33NO7/c1-17(2)15-29-21(24)10-8-6-4-5-7-9-11-22(25)30-16-18-12-13-20(28-3)19(14-18)23(26)27/h12-14,17H,4-11,15-16H2,1-3H3 |
| InChIKey |
NSIKRCRRGOIMTR-UHFFFAOYSA-N |
| Molecular Weight |
423.506 g/mol |
| SMILES |
C(CCCCCCC(OCC(C)C)=O)CC(OCC1=CC(=C(C=C1)OC)N(=O)=O)=O |
