| SpectraBase Spectrum ID |
FS74xW3uooX |
| Name |
Hexanoic acid, 2-ethyl-, tetradecyl 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/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-24-22(23)21(6-3)19-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
YYVIVUWGOOIWIF-UHFFFAOYSA-N |
| Molecular Weight |
340.592 g/mol |
| SMILES |
C(OC(C(CC)CCCC)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958808 |
