| SpectraBase Spectrum ID |
KjKqwcf6z5L |
| Name |
Dimethyl 2-methylhexadecane-1,16-dioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-17(19(21)23-3)15-13-11-9-7-5-4-6-8-10-12-14-16-18(20)22-2/h17H,4-16H2,1-3H3 |
| InChIKey |
QWALXQSSSFHPFF-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
COC(=O)C(CCCCCCCCCCCCCC(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879848 |
