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N-Methyl derivative of Sulfamethoxazoleperfluoropropionylamide
SpectraBase Compound ID BNOgfWMlzwO
InChI InChI=1S/C14H12F5N3O4S/c1-8-7-11(20-26-8)21-27(24,25)10-5-3-9(4-6-10)22(2)12(23)13(15,16)14(17,18)19/h3-7H,1-2H3,(H,20,21)
InChIKey ZZSTZCSBCZKZAJ-UHFFFAOYSA-N
Mol Weight 413.32 g/mol
Molecular Formula C14H12F5N3O4S
Exact Mass 413.046868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9I1ERDXGtWI
Name N-Methyl derivative of Sulfamethoxazoleperfluoropropionylamide
Alternate Name(s) 2,2,3,3,3-pentafluoro-N-methyl-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F5N3O4S
InChI InChI=1S/C14H12F5N3O4S/c1-8-7-11(20-26-8)21-27(24,25)10-5-3-9(4-6-10)22(2)12(23)13(15,16)14(17,18)19/h3-7H,1-2H3,(H,20,21)
InChIKey ZZSTZCSBCZKZAJ-UHFFFAOYSA-N
Molecular Weight 413.319 g/mol
SMILES N(S(c1ccc(N(C(C(C(F)(F)F)(F)F)=O)C)cc1)(=O)=O)c1noc(c1)C
SPLASH splash10-014l-9331000000-270892d3ad42d80f2113
Source of Spectrum JH-1982-188-0
Wiley ID 1374935