| SpectraBase Spectrum ID |
6zciMIuUb9t |
| Name |
2,2-Dimethylpropanoic acid, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.334130655 u |
| Formula |
C22H44O2 |
| InChI |
InChI=1S/C22H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(23)22(2,3)4/h5-20H2,1-4H3 |
| InChIKey |
VKSYZSDUMWBZKO-UHFFFAOYSA-N |
| Molecular Weight |
340.592 g/mol |
| SMILES |
C(CCCCCCCCCCCC)CCCCOC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94571 |
