| SpectraBase Compound ID | 8yGmXy6VkdP |
|---|---|
| InChI | InChI=1S/C12H14O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,1-2H3 |
| InChIKey | KRXFLLINIVIGNG-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 | 4uY9sGOaIPk |
|---|---|
| Name | 1-Phenyl-4-methyl-1-pentyn-3-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(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,1-2H3 |
| InChIKey | KRXFLLINIVIGNG-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1=C(C=CC=C1)C#CC(C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852607 |