| SpectraBase Compound ID | GrjQVOA9uQq |
|---|---|
| InChI | InChI=1S/C9H20O5/c1-10-7(9(13-4)14-5)6-8(11-2)12-3/h7-9H,6H2,1-5H3 |
| InChIKey | UZZGIJJADGJEDT-UHFFFAOYSA-N |
| Mol Weight | 208.25 g/mol |
| Molecular Formula | C9H20O5 |
| Exact Mass | 208.131074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5y62XJwLG7Y |
|---|---|
| Name | 1,1,2,4,4-Pentamethoxybutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.131073739 u |
| Formula | C9H20O5 |
| InChI | InChI=1S/C9H20O5/c1-10-7(9(13-4)14-5)6-8(11-2)12-3/h7-9H,6H2,1-5H3 |
| InChIKey | UZZGIJJADGJEDT-UHFFFAOYSA-N |
| Molecular Weight | 208.254 g/mol |
| SMILES | C(C(CC(OC)OC)OC)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80567 |