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Sulfamic acid, [[[4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]amino]carbonyl]phenyl-
SpectraBase Compound ID F7C3bfDOnu4
InChI InChI=1S/C18H15F3N4O4S/c1-12-11-16(18(19,20)21)25(23-12)14-9-7-13(8-10-14)22-17(26)24-30(27,28)29-15-5-3-2-4-6-15/h2-11H,1H3,(H2,22,24,26)
InChIKey YDSRWWCGGODGEV-UHFFFAOYSA-N
Mol Weight 440.4 g/mol
Molecular Formula C18H15F3N4O4S
Exact Mass 440.076611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3nIywRTAoq
Name Sulfamic acid, [[[4-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]amino]carbonyl]phenyl-
Alternate Name(s) N-[[4-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]anilino]-oxomethyl]sulfamic acid phenyl ester phenyl N-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoyl]sulfamate
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Formula C18H15F3N4O4S
InChI InChI=1S/C18H15F3N4O4S/c1-12-11-16(18(19,20)21)25(23-12)14-9-7-13(8-10-14)22-17(26)24-30(27,28)29-15-5-3-2-4-6-15/h2-11H,1H3,(H2,22,24,26)
InChIKey YDSRWWCGGODGEV-UHFFFAOYSA-N
Molecular Weight 440.397 g/mol
SMILES N(C(NS(Oc1ccccc1)(=O)=O)=O)c1ccc(-[n]2c(C(F)(F)F)cc(C)n2)cc1
SPLASH splash10-00ko-9210000000-00edb993525f0748db52
Source of Spectrum IY-1-4569-0
Wiley ID 1653673