| SpectraBase Spectrum ID |
2obrJAHSiLA |
| Name |
Pyridoxine 3HFB |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
757.001628399 u |
| Formula |
C20H8F21NO6 |
| InChI |
InChI=1S/C20H8F21NO6/c1-5-8(48-11(45)14(25,26)17(31,32)20(39,40)41)7(4-47-10(44)13(23,24)16(29,30)19(36,37)38)6(2-42-5)3-46-9(43)12(21,22)15(27,28)18(33,34)35/h2H,3-4H2,1H3 |
| InChIKey |
NPBQAXPWZRHYHB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
757.251 g/mol |
| Nominal Mass |
757 u |
| Quality |
999 |
| Retention Index |
1438 |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(OC1=C(C(COC(C(C(C(F)(F)F)(F)F)(F)F)=O)=CN=C1C)COC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O)(F)F |
| SPLASH |
splash10-014i-6903000000-dbf47a8c4249c40ba85a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Vitamin B6 3HFB
4,5-bis(((2,2,3,3,4,4,4-heptafluorobutanoyl)oxy)methyl)-2-methylpyridin-3-yl 2,2,3,3,4,4,4-\rheptafluorobutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009941 |
