| SpectraBase Compound ID | GJqKUwp0cjF |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-4-6-13-18-16(17-5-2)12-11-15-9-7-14(3)8-10-15/h1,7-10,16H,5-6,13H2,2-3H3 |
| InChIKey | HNOGDUYVXWJCTC-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 | 1t0av0diZTT |
|---|---|
| Name | 1-(3-(but-3-Ynyloxy)-3-ethoxyprop-1-ynyl)-4-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/c1-4-6-13-18-16(17-5-2)12-11-15-9-7-14(3)8-10-15/h1,7-10,16H,5-6,13H2,2-3H3 |
| InChIKey | HNOGDUYVXWJCTC-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(C(OCC)OCCC#C)#CC1=CC=C(C=C1)C |