| SpectraBase Spectrum ID |
1CiHQj1w52g |
| Name |
Sebacic acid, 3-methylphenyl nonyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-3-4-5-6-9-12-15-21-29-25(27)19-13-10-7-8-11-14-20-26(28)30-24-18-16-17-23(2)22-24/h16-18,22H,3-15,19-21H2,1-2H3 |
| InChIKey |
XHYBSDLOOSBPMJ-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C(CCCCCC(OC1=CC(C)=CC=C1)=O)CCC(OCCCCCCCCC)=O |
