| SpectraBase Spectrum ID |
E9QjKj25J9j |
| Name |
Sebacic acid, di(3,3-dimethylbut-2-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-17(21(5,6)7)25-19(23)15-13-11-9-8-10-12-14-18(22)24-16-20(2,3)4/h17H,8-16H2,1-7H3 |
| InChIKey |
ZBITXCQWKDAUSU-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992188 |
