| SpectraBase Compound ID | 1FoZuXB8YKa |
|---|---|
| InChI | InChI=1S/C12H14/c1-3-4-5-6-12-9-7-11(2)8-10-12/h7-10H,3-4H2,1-2H3 |
| InChIKey | CFYGOIWKDRCRAK-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C12H14 |
| Exact Mass | 158.10955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LBrk9iCrBco |
|---|---|
| Name | 1-Methyl-4-(1-pentyn-1-yl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.109550451 u |
| Formula | C12H14 |
| InChI | InChI=1S/C12H14/c1-3-4-5-6-12-9-7-11(2)8-10-12/h7-10H,3-4H2,1-2H3 |
| InChIKey | CFYGOIWKDRCRAK-UHFFFAOYSA-N |
| Molecular Weight | 158.244 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C#CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872198 |