![1,7-Bis-(2-methyl-[1,3]dioxolan-2-yl)-heptan-4-one](/api/spectrum/5d8vE5C7LlB/structure.png?h=300&w=458 "1,7-Bis-(2-methyl-[1,3]dioxolan-2-yl)-heptan-4-one")
| SpectraBase Compound ID | JWqRKdVdWZ9 |
|---|---|
| InChI | InChI=1S/C15H26O5/c1-14(17-9-10-18-14)7-3-5-13(16)6-4-8-15(2)19-11-12-20-15/h3-12H2,1-2H3 |
| InChIKey | ZQHIVSOOKYRRNG-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C15H26O5 |
| Exact Mass | 286.178024 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5d8vE5C7LlB |
|---|---|
| Name | 1,7-bis-(2-Methyl-[1,3]dioxolan-2-yl)-heptan-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.178023932 u |
| Formula | C15H26O5 |
| InChI | InChI=1S/C15H26O5/c1-14(17-9-10-18-14)7-3-5-13(16)6-4-8-15(2)19-11-12-20-15/h3-12H2,1-2H3 |
| InChIKey | ZQHIVSOOKYRRNG-UHFFFAOYSA-N |
| SMILES | C1(OCCO1)(CCCC(=O)CCCC1(OCCO1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980429 |