| SpectraBase Compound ID | 7bwHe6MZf8t |
|---|---|
| InChI | InChI=1S/C21H24O7/c1-13-7-3-5-9-15(13)20(25)27-11-17(22)19(24)18(23)12-28-21(26)16-10-6-4-8-14(16)2/h3-10,17-19,22-24H,11-12H2,1-2H3 |
| InChIKey | WVLZZCXOMYOSEF-UHFFFAOYSA-N |
| Mol Weight | 388.42 g/mol |
| Molecular Formula | C21H24O7 |
| Exact Mass | 388.152203 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 | KcVkC1TCO6v |
|---|---|
| Name | D-Arabinitol 1,5-di-o-toluate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.152203106 u |
| Formula | C21H24O7 |
| InChI | InChI=1S/C21H24O7/c1-13-7-3-5-9-15(13)20(25)27-11-17(22)19(24)18(23)12-28-21(26)16-10-6-4-8-14(16)2/h3-10,17-19,22-24H,11-12H2,1-2H3 |
| InChIKey | WVLZZCXOMYOSEF-UHFFFAOYSA-N |
| Molecular Weight | 388.416 g/mol |
| SMILES | C(C(COC(=O)C1=C(C=CC=C1)C)O)(O)C(O)COC(=O)C1=CC=CC=C1C |