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Sulfaphenazole TFA
SpectraBase Compound ID 973iHnuKYgg
InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)16(25)22-12-6-8-14(9-7-12)28(26,27)23-15-10-11-21-24(15)13-4-2-1-3-5-13/h1-11,23H,(H,22,25)
InChIKey GHVXUDHRVLIKTJ-UHFFFAOYSA-N
Mol Weight 410.37 g/mol
Molecular Formula C17H13F3N4O3S
Exact Mass 410.066046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49Va51OqOm
Name Sulfaphenazole TFA
Classification Antibiotic
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Exact Mass 410.066045955 u
Formula C17H13N4O3SF3
InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)16(25)22-12-6-8-14(9-7-12)28(26,27)23-15-10-11-21-24(15)13-4-2-1-3-5-13/h1-11,23H,(H,22,25)
InChIKey GHVXUDHRVLIKTJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 410.371 g/mol
SMILES c1(ccc(cc1)NC(=O)C(F)(F)F)S(Nc1ccn[n]1-c1ccccc1)(=O)=O
SPLASH splash10-0fri-4943000000-5d65cf01095b49a03c3d
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.
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_8292