| SpectraBase Compound ID | 4rF3cl97LuR |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-3-7-14(16-12(2)15)11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,10-11H2,1-2H3 |
| InChIKey | ILIPJGXMBZZDSZ-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DJTPuMY5x6R |
|---|---|
| Name | 4-Acetoxy-6-phenylhex-2-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-3-7-14(16-12(2)15)11-10-13-8-5-4-6-9-13/h4-6,8-9,14H,10-11H2,1-2H3 |
| InChIKey | ILIPJGXMBZZDSZ-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(#CC)C(OC(=O)C)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933457 |