| SpectraBase Compound ID | 7j9JFLYu4c0 |
|---|---|
| InChI | InChI=1S/C28H14F24O19/c29-21(30,31)13(53)61-1-3-5(7(67-16(56)24(38,39)40)10(70-19(59)27(47,48)49)12(64-3)71-20(60)28(50,51)52)65-11-9(69-18(58)26(44,45)46)8(68-17(57)25(41,42)43)6(66-15(55)23(35,36)37)4(63-11)2-62-14(54)22(32,33)34/h3-12H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10-,11+,12-/m0/s1 |
| InChIKey | MFWYGUKAOQCCKF-UHFFFAOYSA-N |
| Mol Weight | 1110.36 g/mol |
| Molecular Formula | C28H14F24O19 |
| Exact Mass | 1109.974604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcavR6D8eKz |
|---|---|
| Name | Lactose 8tfa P1735 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1109.974604124 u |
| Formula | C28H14F24O19 |
| InChI | InChI=1S/C28H14F24O19/c29-21(30,31)13(53)61-1-3-5(7(67-16(56)24(38,39)40)10(70-19(59)27(47,48)49)12(64-3)71-20(60)28(50,51)52)65-11-9(69-18(58)26(44,45)46)8(68-17(57)25(41,42)43)6(66-15(55)23(35,36)37)4(63-11)2-62-14(54)22(32,33)34/h3-12H,1-2H2 |
| InChIKey | MFWYGUKAOQCCKF-UHFFFAOYSA-N |
| Molecular Weight | 1110.363 g/mol |
| SMILES | C1(C(C(OC(C(F)(F)F)=O)C(COC(C(F)(F)F)=O)OC1OC1C(C(C(OC(C(F)(F)F)=O)OC1COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |