![2-Tert-butyl-5-[1-carboxy-2-(4-benzyloxy-3-methoxybenzyl)]dioxolan-4-one](/api/spectrum/IQKKRAUqfEI/structure.png?h=300&w=458 "2-Tert-butyl-5-[1-carboxy-2-(4-benzyloxy-3-methoxybenzyl)]dioxolan-4-one")
| SpectraBase Compound ID | 7bubNKuCXCY |
|---|---|
| InChI | InChI=1S/C24H28O7/c1-24(2,3)23-30-20(22(27)31-23)17(21(25)26)12-16-10-11-18(19(13-16)28-4)29-14-15-8-6-5-7-9-15/h5-11,13,17,20,23H,12,14H2,1-4H3,(H,25,26)/t17-,20+,23+/m1/s1 |
| InChIKey | ZBTUDIDZGGRZRG-MONBJTKQSA-N |
| Mol Weight | 428.48 g/mol |
| Molecular Formula | C24H28O7 |
| Exact Mass | 428.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IQKKRAUqfEI |
|---|---|
| Name | 2-Tert-butyl-5-[1-carboxy-2-(4-benzyloxy-3-methoxybenzyl)]dioxolan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.183503235 u |
| Formula | C24H28O7 |
| InChI | InChI=1S/C24H28O7/c1-24(2,3)23-30-20(22(27)31-23)17(21(25)26)12-16-10-11-18(19(13-16)28-4)29-14-15-8-6-5-7-9-15/h5-11,13,17,20,23H,12,14H2,1-4H3,(H,25,26)/t17-,20+,23+/m1/s1 |
| InChIKey | ZBTUDIDZGGRZRG-MONBJTKQSA-N |
| Molecular Weight | 428.481 g/mol |
| SMILES | [C@]1(C(O[C@](O1)(C(C)(C)C)[H])=O)([C@](C(=O)O)(CC1=CC(OC)=C(C=C1)OCC=1C=CC=CC1)[H])[H] |