| SpectraBase Compound ID | D5DVVRDQhps |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-4-5-8-12-9-6-7-10(2,3)11/h11H,4-5,8-9H2,1-3H3 |
| InChIKey | AAJFIHBXPTVBMB-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H6HahaQyFEB |
|---|---|
| Name | 5-Butoxy-2-methyl-3-pentyn-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-4-5-8-12-9-6-7-10(2,3)11/h11H,4-5,8-9H2,1-3H3 |
| InChIKey | AAJFIHBXPTVBMB-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | OC(C)(C#CCOCCCC)C |
| Spectrum/Structure Validation Score (Raman) | 0.951911 |