| SpectraBase Compound ID | KXZDOB4tUhu |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-8(10)11-5-3-4-9(2)12-6-7-13-9/h3-7H2,1-2H3 |
| InChIKey | RTNBXAGXXHSMIJ-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1UGTIPnmM5e |
|---|---|
| Name | 1,3-Dioxolane-2-propanol, 2-methyl-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-8(10)11-5-3-4-9(2)12-6-7-13-9/h3-7H2,1-2H3 |
| InChIKey | RTNBXAGXXHSMIJ-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(CCOC(C)=O)C1(C)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918261 |