| SpectraBase Compound ID | 1WCCSBTdCkN |
|---|---|
| InChI | InChI=1S/C19H17IO/c1-2-3-4-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(20)13-11-17/h5-8,10-13H,2-4H2,1H3 |
| InChIKey | MDWNMXZHSKCVSL-UHFFFAOYSA-N |
| Mol Weight | 388.25 g/mol |
| Molecular Formula | C19H17IO |
| Exact Mass | 388.03241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WqqUIqaNe5 |
|---|---|
| Name | 3-(4-Butylphenyl)-1-(4-iodophenyl)prop-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.032410166 u |
| Formula | C19H17IO |
| InChI | InChI=1S/C19H17IO/c1-2-3-4-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(20)13-11-17/h5-8,10-13H,2-4H2,1H3 |
| InChIKey | MDWNMXZHSKCVSL-UHFFFAOYSA-N |
| Molecular Weight | 388.248 g/mol |
| SMILES | C(C#CC=1C=CC(=CC1)CCCC)(=O)C=1C=CC(=CC1)I |