| SpectraBase Compound ID | LPV7j1sdRtT |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,1-2H3 |
| InChIKey | IDBYRNBFAOMVCC-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JguVtfiohQi |
|---|---|
| Name | 1-(4-Methoxyphenyl)but-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,1-2H3 |
| InChIKey | IDBYRNBFAOMVCC-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(#CC)C(C1=CC=C(C=C1)OC)=O |