| SpectraBase Spectrum ID |
8p9xsltcqUS |
| Name |
Sebacic acid, 3-nitro-4-chlorobenzyl pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.191815448 u |
| Formula |
C22H32ClNO6 |
| InChI |
InChI=1S/C22H32ClNO6/c1-2-3-10-15-29-21(25)11-8-6-4-5-7-9-12-22(26)30-17-18-13-14-19(23)20(16-18)24(27)28/h13-14,16H,2-12,15,17H2,1H3 |
| InChIKey |
GVBDNTSWQJHFQC-UHFFFAOYSA-N |
| Molecular Weight |
441.952 g/mol |
| SMILES |
C(CCCCCCC(OCCCCC)=O)CC(OCC1=CC(=C(C=C1)Cl)N(=O)=O)=O |
