| SpectraBase Compound ID | KOPzZjNFE64 |
|---|---|
| InChI | InChI=1S/C10H8O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,9H,5H2 |
| InChIKey | ITJYMDISVAMDTC-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C10H8O |
| Exact Mass | 144.057515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | akCY1144HI |
|---|---|
| Name | 3-Butynal, 4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.057514877 u |
| Formula | C10H8O |
| InChI | InChI=1S/C10H8O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,9H,5H2 |
| InChIKey | ITJYMDISVAMDTC-UHFFFAOYSA-N |
| Molecular Weight | 144.173 g/mol |
| SMILES | C1=C(C=CC=C1)C#CCC=O |