| SpectraBase Compound ID | CXR6XMKcBQv |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-5-9(3)11(13)15-7-8-16-12(14)10(4)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | DLGZXBYXKLZIMW-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GPNo0JDVBnn |
|---|---|
| Name | Ethane-1,2-diyl bis(2-methylbutanoate) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-5-9(3)11(13)15-7-8-16-12(14)10(4)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | DLGZXBYXKLZIMW-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(OC(C(C)CC)=O)COC(C(C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972685 |