| SpectraBase Compound ID | K5lf4ws7JyC |
|---|---|
| InChI | InChI=1S/C15H16O/c1-5-6-7-13-8-10-14(11-9-13)16-12-15(2,3)4/h1,8-11H,12H2,2-4H3 |
| InChIKey | PXHQNFXZFJGDFN-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C15H16O |
| Exact Mass | 212.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQVa4M84d7C |
|---|---|
| Name | 1-(p-Neopentoxyphenyl)-1,3-butadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.120115134 u |
| Formula | C15H16O |
| InChI | InChI=1S/C15H16O/c1-5-6-7-13-8-10-14(11-9-13)16-12-15(2,3)4/h1,8-11H,12H2,2-4H3 |
| InChIKey | PXHQNFXZFJGDFN-UHFFFAOYSA-N |
| Molecular Weight | 212.292 g/mol |
| SMILES | C(C#C)#CC1=CC=C(OCC(C)(C)C)C=C1 |