SpectraBase Spectrum ID |
DojSUjnR4Fs |
Name |
Omeprazole 2ME |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
373.146012784 u |
Formula |
C19H23N3O3S |
InChI |
InChI=1S/C19H23N3O3S/c1-11-7-14(24-5)8-15-17(11)22(4)19(21-15)26(23)10-16-13(3)18(25-6)12(2)9-20-16/h7-9H,10H2,1-6H3 |
InChIKey |
INNMNPVOFVYLJK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
373.471 g/mol |
Nominal Mass |
373 u |
Quality |
929 |
Retention Index |
2921 |
SMILES |
C1=2C(N(C(S(CC=3C(=C(C(=CN3)C)OC)C)=O)=N1)C)=C(C=C(C2)OC)C |
SPLASH |
splash10-053r-0916000000-dbb80af85e1ab7a1e541 |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1,7-dimethyl-1H-benzimidazole |
Technique |
GC/MS |
Wiley ID |
DD2024_003396 |