| SpectraBase Compound ID | GtHpBjhuY6c |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-13(2)10-11-18(12-14-8-6-5-7-9-14)15(19)21-17(3,4)22-16(18)20/h5-10H,11-12H2,1-4H3 |
| InChIKey | SEJXIJFASZJWNY-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jqqohab4f2m |
|---|---|
| Name | 2,2-Dimethyl-5-(3-methylbut-2-enyl)-5-(phenylmethyl)-1,3-dioxane-4,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.151809184 u |
| Formula | C18H22O4 |
| InChI | InChI=1S/C18H22O4/c1-13(2)10-11-18(12-14-8-6-5-7-9-14)15(19)21-17(3,4)22-16(18)20/h5-10H,11-12H2,1-4H3 |
| InChIKey | SEJXIJFASZJWNY-UHFFFAOYSA-N |
| SMILES | C1(OC(C(C(O1)=O)(CC=C(C)C)CC=1C=CC=CC1)=O)(C)C |