| SpectraBase Compound ID | FZf46MdcU2U |
|---|---|
| InChI | InChI=1S/C26H36O4/c1-3-4-5-6-7-8-12-15-23(27)24(28)18-22-16-17-25(26(19-22)29-2)30-20-21-13-10-9-11-14-21/h9-11,13-14,16-17,19,24,28H,3-8,12,15,18,20H2,1-2H3 |
| InChIKey | UTDJCHYHASHGCB-UHFFFAOYSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C26H36O4 |
| Exact Mass | 412.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeV1HG60vrC |
|---|---|
| Name | 1-(3-Methoxy-4-phenylmethoxy-phenyl)-2-oxidanyl-dodecan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.261359635 u |
| Formula | C26H36O4 |
| InChI | InChI=1S/C26H36O4/c1-3-4-5-6-7-8-12-15-23(27)24(28)18-22-16-17-25(26(19-22)29-2)30-20-21-13-10-9-11-14-21/h9-11,13-14,16-17,19,24,28H,3-8,12,15,18,20H2,1-2H3 |
| InChIKey | UTDJCHYHASHGCB-UHFFFAOYSA-N |
| Molecular Weight | 412.570 g/mol |
| SMILES | C(C(C(CCCCCCCCC)=O)O)C=1C=C(C(=CC1)OCC=1C=CC=CC1)OC |