| SpectraBase Compound ID | 5QbP4fXlJJy |
|---|---|
| InChI | InChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2 |
| InChIKey | IXAWTPMDMPUGLV-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GQ7Qija2nmD |
|---|---|
| Name | 2,2'-(2-Butynylenedioxy)diethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.089208927 u |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,3-8H2 |
| InChIKey | IXAWTPMDMPUGLV-UHFFFAOYSA-N |
| SMILES | OCCOCC#CCOCCO |
| Spectrum/Structure Validation Score (Raman) | 0.971625 |