| SpectraBase Spectrum ID |
F250ILEYdU4 |
| Name |
Propane-1,3-diyl bis(2-methylbutanoate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.167459249 u |
| Formula |
C13H24O4 |
| InChI |
InChI=1S/C13H24O4/c1-5-10(3)12(14)16-8-7-9-17-13(15)11(4)6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey |
RKOZVZVECIQBPZ-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
C(OC(=O)C(CC)C)CCOC(C(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937318 |
