| SpectraBase Spectrum ID |
9ih28kyLy8H |
| Name |
Sebacic acid, digeranyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.370910086 u |
| Formula |
C30H50O4 |
| InChI |
InChI=1S/C30H50O4/c1-25(2)15-13-17-27(5)21-23-33-29(31)19-11-9-7-8-10-12-20-30(32)34-24-22-28(6)18-14-16-26(3)4/h15-16,21-22H,7-14,17-20,23-24H2,1-6H3/b27-21+,28-22+ |
| InChIKey |
ZIACLYHJEXVRCW-GPAWKIAZSA-N |
| Molecular Weight |
474.726 g/mol |
| SMILES |
C(=CCC\C(=C\COC(CCCCCCCCC(OC\C=C/(C)CCC=C(C)C)=O)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960422 |
