SpectraBase Spectrum ID |
5WLightzUae |
Name |
Lumiracoxib-A |
Classification |
Pharmaceutical drug artifact |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
275.051319840 u |
Formula |
C15H11ClFNO |
InChI |
InChI=1S/C15H11ClFNO/c1-9-5-6-13-10(7-9)8-14(19)18(13)15-11(16)3-2-4-12(15)17/h2-7H,8H2,1H3 |
InChIKey |
LFXMCCUTBWQOJG-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
275.710 g/mol |
Nominal Mass |
275 u |
Quality |
913 |
Retention Index |
2092 |
SMILES |
C=12N(C(CC2=CC(=CC1)C)=O)C1=C(C=CC=C1F)Cl |
SPLASH |
splash10-03fr-1290000000-0fa317007a3911755900 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(2-chloro-6-fluorophenyl)-5-methyl-1,3-dihydro-2H-indol-2-one |
Technique |
GC/MS |
Wiley ID |
DD2024_007795 |