| SpectraBase Spectrum ID |
6Y2CbRw0YRK |
| Name |
Sebacic acid, butyl geranyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-5-6-19-27-23(25)16-11-9-7-8-10-12-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h14,18H,5-13,15-17,19-20H2,1-4H3/b22-18+ |
| InChIKey |
FAKMWWJBXOOCDJ-RELWKKBWSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(=CCC\C(=C\COC(CCCCCCCCC(OCCCC)=O)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976028 |
