| SpectraBase Compound ID | 1aGPlDCk2Ld |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-7-9-11-23-19-14-20(24-12-10-8-6-2)18(16(4)22)13-17(19)15(3)21/h13-14H,5-12H2,1-4H3 |
| InChIKey | HWMFFBMCUAGXGJ-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYfGNemIntX |
|---|---|
| Name | 1,1'-(4,6-bis(N-Pentyl)oxy-1,3-phenylene)bisethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-5-7-9-11-23-19-14-20(24-12-10-8-6-2)18(16(4)22)13-17(19)15(3)21/h13-14H,5-12H2,1-4H3 |
| InChIKey | HWMFFBMCUAGXGJ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=CC(OCCCCC)=C(C=C1C(C)=O)C(=O)C)OCCCCC |