| SpectraBase Compound ID | 23klCrU2SWs |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-12(17(20)22-6)15(11-16(19)18(2,3)4)13-7-9-14(21-5)10-8-13/h7-10,12,15H,11H2,1-6H3 |
| InChIKey | SCVGINHYGZCXQE-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXUPNAx2myK |
|---|---|
| Name | Methyl 3-(4-methoxyphenyl)-2,6,6-trimethyl-5-oxoheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-12(17(20)22-6)15(11-16(19)18(2,3)4)13-7-9-14(21-5)10-8-13/h7-10,12,15H,11H2,1-6H3 |
| InChIKey | SCVGINHYGZCXQE-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C=1C=C(C(CC(C(C)(C)C)=O)C(C(OC)=O)C)C=CC1OC |