| SpectraBase Compound ID | L6Jc3CAti87 |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-9(2)7-11(13)15-5-6-16-12(14)8-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | GCTDXSKNEMXXHP-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AM04qaKCbar |
|---|---|
| Name | Ethane-1,2-diyl bis(3-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/c1-9(2)7-11(13)15-5-6-16-12(14)8-10(3)4/h9-10H,5-8H2,1-4H3 |
| InChIKey | GCTDXSKNEMXXHP-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(OC(CC(C)C)=O)COC(CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979127 |