| SpectraBase Compound ID | BSxy5eUY0do |
|---|---|
| InChI | InChI=1S/C7H16O4/c1-9-4-6(8)7(11-3)5-10-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | OGCOHJCNHJVFKY-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C7H16O4 |
| Exact Mass | 164.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IbL9A2U5nLV |
|---|---|
| Name | 1,3,4-Trimethoxy-butan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.104858991 u |
| Formula | C7H16O4 |
| InChI | InChI=1S/C7H16O4/c1-9-4-6(8)7(11-3)5-10-2/h6-8H,4-5H2,1-3H3 |
| InChIKey | OGCOHJCNHJVFKY-UHFFFAOYSA-N |
| Molecular Weight | 164.201 g/mol |
| SMILES | C(O)(COC)C(OC)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977175 |