| SpectraBase Compound ID | 7u8VFi8wwu6 |
|---|---|
| InChI | InChI=1S/C12H14O/c1-10-6-8-12(9-7-10)5-3-4-11(2)13/h6-9,11,13H,4H2,1-2H3 |
| InChIKey | BDNSYEJAHWAINU-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GXX0tm8odgj |
|---|---|
| Name | Tolylpent-1-yn-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-10-6-8-12(9-7-10)5-3-4-11(2)13/h6-9,11,13H,4H2,1-2H3 |
| InChIKey | BDNSYEJAHWAINU-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | CC1=CC=C(C=C1)C#CCC(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910461 |