![1-[(4-Methoxyphenyl)ethynyl]-4-n-propylbenzene](/api/spectrum/Lttzm7v7Zho/structure.png?h=300&w=458 "1-[(4-Methoxyphenyl)ethynyl]-4-n-propylbenzene")
| SpectraBase Compound ID | HoYEBwR022n |
|---|---|
| InChI | InChI=1S/C18H18O/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h5-8,11-14H,3-4H2,1-2H3 |
| InChIKey | NPCKVHHCQBJJIS-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C18H18O |
| Exact Mass | 250.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Lttzm7v7Zho |
|---|---|
| Name | 1-[(4-Methoxyphenyl)ethynyl]-4-N-propylbenzene |
| 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/c1-3-4-15-5-7-16(8-6-15)9-10-17-11-13-18(19-2)14-12-17/h5-8,11-14H,3-4H2,1-2H3 |
| InChIKey | NPCKVHHCQBJJIS-UHFFFAOYSA-N |
| Molecular Weight | 250.341 g/mol |
| SMILES | C=1C(=CC=C(C1)CCC)C#CC=1C=CC(=CC1)OC |