| SpectraBase Spectrum ID |
CsmCESApVMh |
| Name |
Sebacic acid, cis-non-3-enyl hexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-3-5-7-9-12-15-19-23-29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-8-6-4-2/h12,15H,3-11,13-14,16-23H2,1-2H3/b15-12- |
| InChIKey |
TYKOVCYMJNAECB-QINSGFPZSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCCCC)=O |
