| SpectraBase Spectrum ID |
JEWmPD49MfY |
| Name |
Pyridoxine 3TFA |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
457.020790443 u |
| Formula |
C14H8F9NO6 |
| InChI |
InChI=1S/C14H8F9NO6/c1-5-8(30-11(27)14(21,22)23)7(4-29-10(26)13(18,19)20)6(2-24-5)3-28-9(25)12(15,16)17/h2H,3-4H2,1H3 |
| InChIKey |
DNCWILMVHWWTGD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
457.205 g/mol |
| Nominal Mass |
457 u |
| Quality |
997 |
| Retention Index |
1341 |
| SMILES |
C1(=C(C(=NC=C1COC(C(F)(F)F)=O)C)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O |
| SPLASH |
splash10-014i-9420000000-820243ec46f5f5f31e4d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Vitamin B6 3TFA
2-methyl-4,5-bis(((trifluoroacetyl)oxy)methyl)pyridin-3-yl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009939 |
