| SpectraBase Compound ID | IH8AueLCMzn |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-4-6-12-18-16(17-5-2)11-10-15-9-7-8-14(3)13-15/h1,7-9,13,16H,5-6,12H2,2-3H3 |
| InChIKey | WKCUMIHGGDYLIT-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85lBI3Ue96R |
|---|---|
| Name | 1-(3-(but-3-yn-1-Yloxy)-3-ethoxyprop-1-yn-1-yl)-3-methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-4-6-12-18-16(17-5-2)11-10-15-9-7-8-14(3)13-15/h1,7-9,13,16H,5-6,12H2,2-3H3 |
| InChIKey | WKCUMIHGGDYLIT-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(C(OCC)OCCC#C)#CC1=CC(=CC=C1)C |