| SpectraBase Compound ID | DjjANXOXt2j |
|---|---|
| InChI | InChI=1S/C12H14O/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9,13H,2,4,10H2,1H3 |
| InChIKey | GRCVTXIXDZRUGV-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 | 5kXBoeWlzUv |
|---|---|
| Name | 5-(4-Methylphenyl)pent-4-yn-1-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/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9,13H,2,4,10H2,1H3 |
| InChIKey | GRCVTXIXDZRUGV-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(#CCCCO)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946917 |