| SpectraBase Compound ID | 4CfOvR52kQG |
|---|---|
| InChI | InChI=1S/C12H12O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9,13H,10H2,1H3/b11-9- |
| InChIKey | XBHMBLBHRSJQCB-LUAWRHEFSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ACw9AXwucM7 |
|---|---|
| Name | (Z)-3-Methyl-5-phenyl-1-pent-2-en-4-ynol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9,13H,10H2,1H3/b11-9- |
| InChIKey | XBHMBLBHRSJQCB-LUAWRHEFSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C(#CC=1C=CC=CC1)\C(=C/CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914556 |