| SpectraBase Compound ID | 16CTJoFxmUO |
|---|---|
| InChI | InChI=1S/C12H26O3/c1-5-14-12(15-6-2)8-10-13-9-7-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | IXTYYZWZKKBPFU-UHFFFAOYSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C12H26O3 |
| Exact Mass | 218.188195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gc4NpbORVPU |
|---|---|
| Name | 3,3-Diethoxy-1-propanol, 3-methylbutyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.188194694 u |
| Formula | C12H26O3 |
| InChI | InChI=1S/C12H26O3/c1-5-14-12(15-6-2)8-10-13-9-7-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | IXTYYZWZKKBPFU-UHFFFAOYSA-N |
| Molecular Weight | 218.337 g/mol |
| SMILES | C(OC(CCOCCC(C)C)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926638 |