| SpectraBase Compound ID | 7W6j3VEgrvN |
|---|---|
| InChI | InChI=1S/C9H14O/c1-5-9(4,10)7-6-8(2)3/h10H,2,5H2,1,3-4H3 |
| InChIKey | VSSPEZDVPCUEIR-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1VLP62Z9gSp |
|---|---|
| Name | 3,6-Dimethyl-6-hepten-4-yn-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-5-9(4,10)7-6-8(2)3/h10H,2,5H2,1,3-4H3 |
| InChIKey | VSSPEZDVPCUEIR-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C(C#CC(=C)C)(O)(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962217 |