| SpectraBase Spectrum ID |
iH6IuhQP2H |
| Name |
Glutaric acid, hept-2-yl farnesyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.339609957 u |
| Formula |
C27H46O4 |
| InChI |
InChI=1S/C27H46O4/c1-7-8-9-17-25(6)31-27(29)19-12-18-26(28)30-21-20-24(5)16-11-15-23(4)14-10-13-22(2)3/h13,15,20,25H,7-12,14,16-19,21H2,1-6H3/b23-15+,24-20+ |
| InChIKey |
BGBJLEOJLRDWIX-OJMJSWISSA-N |
| Molecular Weight |
434.661 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OC\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960053 |
