| SpectraBase Spectrum ID |
FqC48rViB8R |
| Name |
Decanoic acid, 5-ethyl-3,5,9-trimethyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.240230268 u |
| Formula |
C16H32O2 |
| InChI |
InChI=1S/C16H32O2/c1-7-16(5,10-8-9-13(2)3)12-14(4)11-15(17)18-6/h13-14H,7-12H2,1-6H3 |
| InChIKey |
LSSRSNGQFHSITR-UHFFFAOYSA-N |
| Molecular Weight |
256.430 g/mol |
| SMILES |
C(C(CCCC(C)C)(CC)C)C(CC(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950869 |
