| SpectraBase Compound ID | 9uTLlJjH8xl |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1H3 |
| InChIKey | UHWLNIWDKOMDRA-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D2KJI4gJXIy |
|---|---|
| Name | Methylpropargyl-.beta.-phenylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1H3 |
| InChIKey | UHWLNIWDKOMDRA-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C1=CC(=CC=C1)CCC(OCC#CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941469 |