| SpectraBase Compound ID | AdgNaQq3vbF |
|---|---|
| InChI | InChI=1S/C13H12O2/c1-11(10-15-12(2)14)8-9-13-6-4-3-5-7-13/h3-7H,1,10H2,2H3 |
| InChIKey | RJGIGIMASMHBLY-UHFFFAOYSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C13H12O2 |
| Exact Mass | 200.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8jYM1ShTlL |
|---|---|
| Name | 2-(Phenylethynyl)prop-2-en-1-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.083729624 u |
| Formula | C13H12O2 |
| InChI | InChI=1S/C13H12O2/c1-11(10-15-12(2)14)8-9-13-6-4-3-5-7-13/h3-7H,1,10H2,2H3 |
| InChIKey | RJGIGIMASMHBLY-UHFFFAOYSA-N |
| Molecular Weight | 200.237 g/mol |
| SMILES | C=1C=C(C=CC1)C#CC(COC(C)=O)=C |