| SpectraBase Compound ID | FT3SNVuHCbY |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-3-5-8-15-11-13-16(14-12-15)20(22)24-18-10-7-6-9-17(18)23-19(21)4-2/h6-7,9-14H,3-5,8H2,1-2H3 |
| InChIKey | OOLIJWXOZJBYAM-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64LssmT4maH |
|---|---|
| Name | 1,2-Benzendiol, o-(4-butylbenzoyl)-o'-propionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-3-5-8-15-11-13-16(14-12-15)20(22)24-18-10-7-6-9-17(18)23-19(21)4-2/h6-7,9-14H,3-5,8H2,1-2H3 |
| InChIKey | OOLIJWXOZJBYAM-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1(=CC=CC=C1OC(CC)=O)OC(C1=CC=C(C=C1)CCCC)=O |