| SpectraBase Spectrum ID |
HRzf05jeR1g |
| Name |
Hexadecanoic acid, 1,6-hexanediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.558710859 u |
| Formula |
C38H74O4 |
| InChI |
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37(39)41-35-31-27-28-32-36-42-38(40)34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3 |
| InChIKey |
IBYKYYZAEVHVLS-UHFFFAOYSA-N |
| Molecular Weight |
595.006 g/mol |
| SMILES |
CCCCCCCCCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800458 |
