| SpectraBase Spectrum ID |
B3BBZRDabqD |
| Name |
Hexanoic acid, 3,5,5-trimethyl-, tetradec-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.349780719 u |
| Formula |
C23H46O2 |
| InChI |
InChI=1S/C23H46O2/c1-7-8-9-10-11-12-13-14-15-16-17-21(3)25-22(24)18-20(2)19-23(4,5)6/h20-21H,7-19H2,1-6H3 |
| InChIKey |
ZBERYZPXQBWASF-UHFFFAOYSA-N |
| Molecular Weight |
354.619 g/mol |
| SMILES |
C(CC(OC(CCCCCCCCCCCC)C)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958946 |
