| SpectraBase Compound ID | AN3e93gXUAu |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-3-5-7-11(13)15-9-10-16-12(14)8-6-4-2/h3-10H2,1-2H3 |
| InChIKey | PVCYPHXUHJFRNZ-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 | IyEC0b5QjKR |
|---|---|
| Name | Ethane-1,2-diyl dipentanoate |
| 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/c1-3-5-7-11(13)15-9-10-16-12(14)8-6-4-2/h3-10H2,1-2H3 |
| InChIKey | PVCYPHXUHJFRNZ-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(COC(=O)CCCC)OC(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942906 |