| SpectraBase Spectrum ID |
DrhEWuGZlQW |
| Name |
Pinitol 5TFA |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
673.990533544 u |
| Formula |
C17H9F15O11 |
| InChI |
InChI=1S/C17H9F15O11/c1-38-2-3(39-8(33)13(18,19)20)5(41-10(35)15(24,25)26)7(43-12(37)17(30,31)32)6(42-11(36)16(27,28)29)4(2)40-9(34)14(21,22)23/h2-7H,1H3/t2?,3-,4+,5+,6?,7?/m1/s1 |
| InChIKey |
YUVUJOCAYPIZBU-GOVLSTAKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
674.224 g/mol |
| Nominal Mass |
674 u |
| Quality |
1000 |
| Retention Index |
4616 |
| SMILES |
C1([C@]([C@@](C([C@@](C1OC(C(F)(F)F)=O)(OC(C(F)(F)F)=O)[H])OC)(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])OC(C(F)(F)F)=O |
| SPLASH |
splash10-00lr-9545000000-84ff2d4cb70c42f3f11e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methoxy-3,4,5,6-tetrakis((trifluoroacetyl)oxy)cyclohexyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028059 |
