| SpectraBase Compound ID | 6nGlrNZwV3B |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-3-5-7-9(11)14-8(6-4-2)10(12)13-7/h7-8H,3-6H2,1-2H3 |
| InChIKey | KIFNCRCPGMECJU-UHFFFAOYSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EbPkuU1pc5E |
|---|---|
| Name | p-Dioxane-2,5-dione, 3,6-dipropyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-3-5-7-9(11)14-8(6-4-2)10(12)13-7/h7-8H,3-6H2,1-2H3 |
| InChIKey | KIFNCRCPGMECJU-UHFFFAOYSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(CC1C(=O)OC(C(O1)=O)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949359 |