| SpectraBase Compound ID | 5M6OkktCQvS |
|---|---|
| InChI | InChI=1S/C54H130O16Si12/c1-71(2,3)55-37-41-45(61-54-52(70-82(34,35)36)50(68-80(28,29)30)47(65-77(19,20)21)42(60-54)38-56-72(4,5)6)49(67-79(25,26)27)51(69-81(31,32)33)53(59-41)62-46(43(63-75(13,14)15)39-57-73(7,8)9)48(66-78(22,23)24)44(64-76(16,17)18)40-58-74(10,11)12/h41-54H,37-40H2,1-36H3/t41-,42-,43-,44+,45-,46?,47-,48-,49?,50+,51-,52-,53-,54-/m1/s1 |
| InChIKey | ARPOAHTZGMXYRP-KUERWZKKSA-N |
| Mol Weight | 1372.6 g/mol |
| Molecular Formula | C54H130O16Si12 |
| Exact Mass | 1370.659007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImDKIk5a0wb |
|---|---|
| Name | Maltotriitol, 12TMS |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1370.659006510 u |
| Formula | C54H130O16Si12 |
| InChI | InChI=1S/C54H130O16Si12/c1-71(2,3)55-37-41-45(61-54-52(70-82(34,35)36)50(68-80(28,29)30)47(65-77(19,20)21)42(60-54)38-56-72(4,5)6)49(67-79(25,26)27)51(69-81(31,32)33)53(59-41)62-46(43(63-75(13,14)15)39-57-73(7,8)9)48(66-78(22,23)24)44(64-76(16,17)18)40-58-74(10,11)12/h41-54H,37-40H2,1-36H3/t41-,42-,43-,44+,45-,46?,47-,48-,49?,50+,51-,52-,53-,54-/m1/s1 |
| InChIKey | ARPOAHTZGMXYRP-KUERWZKKSA-N |
| Molecular Weight | 1372.638 g/mol |
| SMILES | C([C@@]([C@](C([C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[H])O[C@@]1([C@@](C([C@@]([C@@](CO[Si](C)(C)C)(O1)[H])(O[C@@]1([C@@]([C@]([C@@]([C@@](CO[Si](C)(C)C)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])O[Si](C)(C)C)(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C |