| SpectraBase Compound ID | 1mcO4VD7ZS0 |
|---|---|
| InChI | InChI=1S/C6H10O/c1-6(2)4-3-5-7/h6-7H,5H2,1-2H3 |
| InChIKey | GSSDYZXTFBSJBT-UHFFFAOYSA-N |
| Mol Weight | 98.14 g/mol |
| Molecular Formula | C6H10O |
| Exact Mass | 98.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KV2X9DWBzqL |
|---|---|
| Name | 4-Methyl-2-pentyn-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.073164941 u |
| Formula | C6H10O |
| InChI | InChI=1S/C6H10O/c1-6(2)4-3-5-7/h6-7H,5H2,1-2H3 |
| InChIKey | GSSDYZXTFBSJBT-UHFFFAOYSA-N |
| Molecular Weight | 98.145 g/mol |
| SMILES | C(#CCO)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938736 |