| SpectraBase Spectrum ID |
H2Kgff8BEzn |
| Name |
Hexadecanoic acid, 1,1-dimethylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.302830526 u |
| Formula |
C20H40O2 |
| InChI |
InChI=1S/C20H40O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)22-20(2,3)4/h5-18H2,1-4H3 |
| InChIKey |
QESUPNPIYGFLCJ-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(=O)(CCCCCCCCCCCCCCC)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884816 |
