| SpectraBase Compound ID | L3JITpBE6Q2 |
|---|---|
| InChI | InChI=1S/C18H18O/c1-14(2)18-7-5-4-6-16(18)11-8-15-9-12-17(19-3)13-10-15/h4-7,9-10,12-14H,1-3H3 |
| InChIKey | IUWCTOWTADGUKY-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C18H18O |
| Exact Mass | 250.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Rj9BhFL1fo |
|---|---|
| Name | 1-Isopropyl-2-((4-methoxyphenyl)ethynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.135765199 u |
| Formula | C18H18O |
| InChI | InChI=1S/C18H18O/c1-14(2)18-7-5-4-6-16(18)11-8-15-9-12-17(19-3)13-10-15/h4-7,9-10,12-14H,1-3H3 |
| InChIKey | IUWCTOWTADGUKY-UHFFFAOYSA-N |
| Molecular Weight | 250.341 g/mol |
| SMILES | C=1C=CC(C#CC2=CC=C(C=C2)OC)=C(C1)C(C)C |