SpectraBase Spectrum ID |
7WGiJ8c3WXw |
Name |
Sebacic acid, 2,4-dichloronaphth-1-yl heptyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
494.199065035 u |
Formula |
C27H36Cl2O4 |
InChI |
InChI=1S/C27H36Cl2O4/c1-2-3-4-9-14-19-32-25(30)17-10-7-5-6-8-11-18-26(31)33-27-22-16-13-12-15-21(22)23(28)20-24(27)29/h12-13,15-16,20H,2-11,14,17-19H2,1H3 |
InChIKey |
VFJBKBRNSLJZKW-UHFFFAOYSA-N |
Molecular Weight |
495.487 g/mol |
SMILES |
C(CCCCC(OC1=C(C=C(C2=C1C=CC=C2)Cl)Cl)=O)CCCC(OCCCCCCC)=O |