| SpectraBase Compound ID | K0J26XlnR94 |
|---|---|
| InChI | InChI=1S/C10H16O5/c1-14-9(12)5-3-4-8(11)6-7-10(13)15-2/h3-7H2,1-2H3 |
| InChIKey | DZSFXCIAEQBLMA-UHFFFAOYSA-N |
| Mol Weight | 216.23 g/mol |
| Molecular Formula | C10H16O5 |
| Exact Mass | 216.099774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6lPAQGNw2tD |
|---|---|
| Name | Dimethyl 4-oxooctane-1,8-dioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.099773610 u |
| Formula | C10H16O5 |
| InChI | InChI=1S/C10H16O5/c1-14-9(12)5-3-4-8(11)6-7-10(13)15-2/h3-7H2,1-2H3 |
| InChIKey | DZSFXCIAEQBLMA-UHFFFAOYSA-N |
| Molecular Weight | 216.233 g/mol |
| SMILES | C(C(=O)CCC(OC)=O)CCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992883 |