| SpectraBase Compound ID | Fk1x1Hv6Ox0 |
|---|---|
| InChI | InChI=1S/C36H54O19/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5/h19-20,29-36H,9-18H2,1-8H3/t19-,20-,29-,30-,31+,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | DQEFEBPAPFSJLV-WLTGXWPBSA-N |
| Mol Weight | 790.8 g/mol |
| Molecular Formula | C36H54O19 |
| Exact Mass | 790.325929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LufsDtgUra |
|---|---|
| Name | Cellulose propionate (low mw) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 790.325929500 u |
| Formula | C36H54O19 |
| InChI | InChI=1S/C36H54O19/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5/h19-20,29-36H,9-18H2,1-8H3/t19-,20-,29-,30-,31+,32+,33-,34-,35+,36+/m1/s1 |
| InChIKey | DQEFEBPAPFSJLV-WLTGXWPBSA-N |
| Molecular Weight | 790.809 g/mol |
| Nominal Mass | 790 u |
| SMILES | [C@]1(O[C@@]2([C@](O[C@@](OC(=O)CC)([C@](OC(=O)CC)([C@]2(OC(=O)CC)[H])[H])[H])(COC(CC)=O)[H])[H])(O[C@@]([C@@](OC(=O)CC)([C@](OC(CC)=O)([C@]1(OC(CC)=O)[H])[H])[H])(COC(CC)=O)[H])[H] |