| SpectraBase Compound ID | 4X8sPXbU07x |
|---|---|
| InChI | InChI=1S/C14H18/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,3,6,10H2,1-2H3 |
| InChIKey | PJCRCRJBZYACFY-UHFFFAOYSA-N |
| Mol Weight | 186.3 g/mol |
| Molecular Formula | C14H18 |
| Exact Mass | 186.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7qGRzxguIJw |
|---|---|
| Name | 2-Methyl-7-phenylhept-3-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.140850580 u |
| Formula | C14H18 |
| InChI | InChI=1S/C14H18/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,3,6,10H2,1-2H3 |
| InChIKey | PJCRCRJBZYACFY-UHFFFAOYSA-N |
| Molecular Weight | 186.298 g/mol |
| SMILES | CC(C#CCCCC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811094 |