| SpectraBase Compound ID | Aos8ii2fbhH |
|---|---|
| InChI | InChI=1S/C13H14ClFO2/c1-2-16-13(17-10-9-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,13H,2,9-10H2,1H3 |
| InChIKey | XJIMSLRSGQWMLL-UHFFFAOYSA-N |
| Mol Weight | 256.7 g/mol |
| Molecular Formula | C13H14ClFO2 |
| Exact Mass | 256.066636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wk318ENPBN |
|---|---|
| Name | 1-(3-(but-3-yn-1-Yloxy)-3-ethoxyprop-1-yn-1-yl)-4-fluorobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.066635552 u |
| Formula | C13H14ClFO2 |
| InChI | InChI=1S/C13H14ClFO2/c1-2-16-13(17-10-9-14)8-5-11-3-6-12(15)7-4-11/h3-4,6-7,13H,2,9-10H2,1H3 |
| InChIKey | XJIMSLRSGQWMLL-UHFFFAOYSA-N |
| Molecular Weight | 256.704 g/mol |
| SMILES | C(C(OCC)OCCCl)#CC1=CC=C(C=C1)F |