| SpectraBase Spectrum ID |
FqkgOsjVFAp |
| Name |
Butanedioic acid, didodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.402210215 u |
| Formula |
C28H54O4 |
| InChI |
InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3 |
| InChIKey |
JBJMZCVEBLDYCA-UHFFFAOYSA-N |
| Molecular Weight |
454.736 g/mol |
| SMILES |
C(C(OCCCCCCCCCCCC)=O)CC(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853913 |
