| SpectraBase Spectrum ID |
2oiSwEI0DKK |
| Name |
D-Fructopyranose 5TFA |
| CAS Registry Number |
56942-38-2 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
659.974883479 u |
| Formula |
C16H7F15O11 |
| InChI |
InChI=1S/C16H7F15O11/c17-12(18,19)6(32)37-2-11(42-10(36)16(29,30)31)5(41-9(35)15(26,27)28)4(40-8(34)14(23,24)25)3(1-38-11)39-7(33)13(20,21)22/h3-5H,1-2H2/t3-,4-,5+,11+/m1/s1 |
| InChIKey |
TVXVQZUZYLRUBY-IPMHDZEHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
660.197 g/mol |
| Nominal Mass |
660 u |
| Quality |
1000 |
| Retention Index |
4515 |
| SMILES |
[C@]1([C@]([C@@]([C@@](CO1)(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)COC(C(F)(F)F)=O |
| SPLASH |
splash10-014i-9421000000-400420668813cd5f7919 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
D-Fructopyranose-pentakis(trifluoroacete) |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008306 |
