| SpectraBase Compound ID | IH7GfMsUYaH |
|---|---|
| InChI | InChI=1S/C13H12O2/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3-4,6-7,9-10H,1-2H3/b4-3+ |
| InChIKey | UFRPZTZBMGMCHI-ONEGZZNKSA-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 | I4ptXuKTfqG |
|---|---|
| Name | E-1-(4-Methoxyphenyl)hex-4-en-1-yn-3-one |
| 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/c1-3-4-12(14)8-5-11-6-9-13(15-2)10-7-11/h3-4,6-7,9-10H,1-2H3/b4-3+ |
| InChIKey | UFRPZTZBMGMCHI-ONEGZZNKSA-N |
| Molecular Weight | 200.237 g/mol |
| SMILES | C(#CC=1C=CC(=CC1)OC)C(\C=C\C)=O |