| SpectraBase Compound ID | HDwH3KVXE3W |
|---|---|
| InChI | InChI=1S/C16H20O6/c1-10-18-8-13-15(22-10)14(21-11(2)20-13)9-19-16(17)12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3 |
| InChIKey | HKXFCEJGVRJZHT-UHFFFAOYSA-N |
| Mol Weight | 308.33 g/mol |
| Molecular Formula | C16H20O6 |
| Exact Mass | 308.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dbm35JwFeZ8 |
|---|---|
| Name | Diethylidene-L-xylitol benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.125988358 u |
| Formula | C16H20O6 |
| InChI | InChI=1S/C16H20O6/c1-10-18-8-13-15(22-10)14(21-11(2)20-13)9-19-16(17)12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3 |
| InChIKey | HKXFCEJGVRJZHT-UHFFFAOYSA-N |
| Molecular Weight | 308.330 g/mol |
| SMILES | C12OC(OC(C2OC(OC1)C)COC(=O)C=1C=CC=CC1)C |