![Benzene, 1-[[4-(pentyloxy)phenyl]ethynyl]-4-propyl-](/api/spectrum/8bnUtAPGpRa/structure.png?h=300&w=458 "Benzene, 1-[[4-(pentyloxy)phenyl]ethynyl]-4-propyl-")
| SpectraBase Compound ID | BzUWIYoneRR |
|---|---|
| InChI | InChI=1S/C22H26O/c1-3-5-6-18-23-22-16-14-21(15-17-22)13-12-20-10-8-19(7-4-2)9-11-20/h8-11,14-17H,3-7,18H2,1-2H3 |
| InChIKey | FTHDVPNMTHMWKA-UHFFFAOYSA-N |
| Mol Weight | 306.45 g/mol |
| Molecular Formula | C22H26O |
| Exact Mass | 306.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bnUtAPGpRa |
|---|---|
| Name | Benzene, 1-[[4-(pentyloxy)phenyl]ethynyl]-4-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.198365456 u |
| Formula | C22H26O |
| InChI | InChI=1S/C22H26O/c1-3-5-6-18-23-22-16-14-21(15-17-22)13-12-20-10-8-19(7-4-2)9-11-20/h8-11,14-17H,3-7,18H2,1-2H3 |
| InChIKey | FTHDVPNMTHMWKA-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)CCC)C#CC=1C=CC(=CC1)OCCCCC |