![3-(4-Methoxyphenyl)-1,6,6-trimethyl-2,7-dioxabicyclo[2.2.1]heptane-5-one](/api/spectrum/KXM4SdpifgC/structure.png?h=300&w=458 "3-(4-Methoxyphenyl)-1,6,6-trimethyl-2,7-dioxabicyclo[2.2.1]heptane-5-one")
| SpectraBase Compound ID | 1AxUFI9pxWo |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-14(2)13(16)12-11(18-15(14,3)19-12)9-5-7-10(17-4)8-6-9/h5-8,11-12H,1-4H3 |
| InChIKey | UCDIZSYDSAYXEE-UHFFFAOYSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KXM4SdpifgC |
|---|---|
| Name | 3-(4-Methoxyphenyl)-1,6,6-trimethyl-2,7-dioxabicyclo[2.2.1]heptane-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.120509056 u |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-14(2)13(16)12-11(18-15(14,3)19-12)9-5-7-10(17-4)8-6-9/h5-8,11-12H,1-4H3 |
| InChIKey | UCDIZSYDSAYXEE-UHFFFAOYSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | C12(OC(C(C(C2(C)C)=O)O1)C=1C=CC(=CC1)OC)C |