| SpectraBase Spectrum ID |
8JnX4d5klKg |
| Name |
Hexadecanoic acid, 1,1-dimethyl-1,2-ethanediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
566.527410730 u |
| Formula |
C36H70O4 |
| InChI |
InChI=1S/C36H70O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(37)39-33-36(3,4)40-35(38)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-33H2,1-4H3 |
| InChIKey |
SDLZWDWJCAHJTI-UHFFFAOYSA-N |
| Molecular Weight |
566.952 g/mol |
| SMILES |
C(OC(CCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917198 |
