| SpectraBase Spectrum ID |
5FMG51lQJIz |
| Name |
Propanoic acid, 2,2-dimethyl-, 2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.303618369 u |
| Formula |
C25H44O8 |
| InChI |
InChI=1S/C25H44O8/c1-21(2,3)17(26)30-13-25(14-31-18(27)22(4,5)6,15-32-19(28)23(7,8)9)16-33-20(29)24(10,11)12/h13-16H2,1-12H3 |
| InChIKey |
KMLHVFNCOIYDRD-UHFFFAOYSA-N |
| Molecular Weight |
472.619 g/mol |
| SMILES |
C(C(COC(C(C)(C)C)=O)(COC(C(C)(C)C)=O)COC(C(C)(C)C)=O)OC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979342 |
![Propanoic acid, 2,2-dimethyl-, 2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl ester](/api/spectrum/5FMG51lQJIz/structure.png?h=300&w=458 "Propanoic acid, 2,2-dimethyl-, 2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl ester")
