| SpectraBase Compound ID | LqnXXWJ0Yqn |
|---|---|
| InChI | InChI=1S/C8H18O3/c9-5-1-3-7-11-8-4-2-6-10/h9-10H,1-8H2 |
| InChIKey | LYKRIFJRHXXXDZ-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C8H18O3 |
| Exact Mass | 162.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EMhZT1azxi2 |
|---|---|
| Name | 1-Butanol, 4,4'-oxybis- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.125594437 u |
| Formula | C8H18O3 |
| InChI | InChI=1S/C8H18O3/c9-5-1-3-7-11-8-4-2-6-10/h9-10H,1-8H2 |
| InChIKey | LYKRIFJRHXXXDZ-UHFFFAOYSA-N |
| Molecular Weight | 162.229 g/mol |
| SMILES | OCCCCOCCCCO |
| Spectrum/Structure Validation Score (Raman) | 0.993155 |