| SpectraBase Compound ID | I3BMO8gXcPw |
|---|---|
| InChI | InChI=1S/C16H28O6/c1-4-5-6-7-8-9-13-21-12-10-19-16(18-3)15(14(12)22-13)20-11(2)17/h12-16H,4-10H2,1-3H3/t12-,13?,14-,15+,16-/m1/s1 |
| InChIKey | IPSSNASKUXZIFC-UHFFFAOYSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C16H28O6 |
| Exact Mass | 316.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31n1e3VkrfV |
|---|---|
| Name | beta-D-Arabinopyranoside, methyl-2-o-acetyl-3,4-o-octyliden-, exo- or endo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.188588616 u |
| Formula | C16H28O6 |
| InChI | InChI=1S/C16H28O6/c1-4-5-6-7-8-9-13-21-12-10-19-16(18-3)15(14(12)22-13)20-11(2)17/h12-16H,4-10H2,1-3H3 |
| InChIKey | IPSSNASKUXZIFC-UHFFFAOYSA-N |
| Molecular Weight | 316.394 g/mol |
| SMILES | C12COC(C(C2OC(O1)CCCCCCC)OC(C)=O)OC |