| SpectraBase Spectrum ID |
LIPCstVgJin |
| Name |
Sebacic acid, isobutyl 3-nitro-4-chlorobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.176165384 u |
| Formula |
C21H30ClNO6 |
| InChI |
InChI=1S/C21H30ClNO6/c1-16(2)14-28-20(24)9-7-5-3-4-6-8-10-21(25)29-15-17-11-12-18(22)19(13-17)23(26)27/h11-13,16H,3-10,14-15H2,1-2H3 |
| InChIKey |
ZKIIDGLPQQRMJG-UHFFFAOYSA-N |
| Molecular Weight |
427.925 g/mol |
| SMILES |
C(CCCCCCC(OCC(C)C)=O)CC(OCC1=CC(=C(C=C1)Cl)N(=O)=O)=O |
