| SpectraBase Spectrum ID |
Bpq2GHYxM7x |
| Name |
Niflumic acid-M (HO-) isomer-2 2ME |
| Classification |
Antirheumatic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.087826773 u |
| Formula |
C15H13F3N2O3 |
| InChI |
InChI=1S/C15H13F3N2O3/c1-22-12-6-5-9(8-11(12)15(16,17)18)20-13-10(14(21)23-2)4-3-7-19-13/h3-8H,1-2H3,(H,19,20) |
| InChIKey |
RDYSEXJHOUBKCQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.275 g/mol |
| SMILES |
c1cc(C(OC)=O)c(Nc2cc(c(cc2)OC)C(F)(F)F)nc1 |
| SPLASH |
splash10-004i-0295000000-46b3b82427b0695849e8 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6381 |
