| SpectraBase Compound ID | JS1Wyv34BW8 |
|---|---|
| InChI | InChI=1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h10H,2-4,7-8H2,1H3 |
| InChIKey | LBQQKDMUDTYWKU-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 | LS8hDdTGVqi |
|---|---|
| Name | 3-Methylenoct-4-yn-1-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/c1-3-4-5-6-9(2)7-8-10/h10H,2-4,7-8H2,1H3 |
| InChIKey | LBQQKDMUDTYWKU-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C(CC(C#CCCC)=C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807485 |