| SpectraBase Spectrum ID |
GnQ3Wjl38B8 |
| Name |
Hexadecanoic acid, 1-(1-methylethyl)-1,2-ethanediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
580.543060794 u |
| Formula |
C37H72O4 |
| InChI |
InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)40-33-35(34(3)4)41-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-35H,5-33H2,1-4H3 |
| InChIKey |
CNNMPDNLCOCSDC-UHFFFAOYSA-N |
| Molecular Weight |
580.979 g/mol |
| SMILES |
C(OC(CCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919678 |
