![3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-](/api/spectrum/ByUSFWZnqsB/structure.png?h=300&w=458 "3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]-")
| SpectraBase Compound ID | ARmeoJRa8z4 |
|---|---|
| InChI | InChI=1S/C18H22O/c1-2-3-4-5-6-7-12-17-13-8-9-14-18(17)15-10-11-16-19/h8-9,13-14,19H,2-6,11,16H2,1H3 |
| InChIKey | QMGSGVGBMODDNY-UHFFFAOYSA-N |
| Mol Weight | 254.37 g/mol |
| Molecular Formula | C18H22O |
| Exact Mass | 254.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByUSFWZnqsB |
|---|---|
| Name | 3-Butyn-1-ol, 4-[2-(1-octynyl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.167065327 u |
| Formula | C18H22O |
| InChI | InChI=1S/C18H22O/c1-2-3-4-5-6-7-12-17-13-8-9-14-18(17)15-10-11-16-19/h8-9,13-14,19H,2-6,11,16H2,1H3 |
| InChIKey | QMGSGVGBMODDNY-UHFFFAOYSA-N |
| Molecular Weight | 254.373 g/mol |
| SMILES | C(#CCCO)C=1C(C#CCCCCCC)=CC=CC1 |