SpectraBase Spectrum ID |
5Vb5Y5DEplI |
Name |
Lansoprazole |
CAS Registry Number |
103577-45-3 |
Classification |
Pharmaceutical drug, antiulcerant |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
369.075882364 u |
Formula |
C16H14F3N3O2S |
InChI |
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) |
InChIKey |
MJIHNNLFOKEZEW-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
369.362 g/mol |
Nominal Mass |
369 u |
Quality |
933 |
Retention Index |
2903 |
SMILES |
C=1(NC=2C(N1)=CC=CC2)S(CC=1C(=C(OCC(F)(F)F)C=CN1)C)=O |
SPLASH |
splash10-0079-3895000000-5f2b2e90e3ffe54b823f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole |
Technique |
GC/MS |
Wiley ID |
DD2024_009226 |