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(NZ)-N-[2-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(NZ)-N-[2-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine
SpectraBase Compound ID BNZDSnLjgma
InChI InChI=1S/C21H16F3N3O3S/c22-21(23,24)18-9-14(13-6-5-11-3-1-2-4-12(11)7-13)25-20(26-18)31-17-8-15(27-28)19-29-10-16(17)30-19/h1-7,9,16-17,19,28H,8,10H2/b27-15-/t16-,17?,19-/m1/s1
InChIKey CRCGPAKBIIZFSD-LHIUBKDYSA-N
Mol Weight 447.43 g/mol
Molecular Formula C21H16F3N3O3S
Exact Mass 447.086447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfBkxcgRl8c
Name (NZ)-N-[2-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine
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Formula C21H16F3N3O3S
InChI InChI=1S/C21H16F3N3O3S/c22-21(23,24)18-9-14(13-6-5-11-3-1-2-4-12(11)7-13)25-20(26-18)31-17-8-15(27-28)19-29-10-16(17)30-19/h1-7,9,16-17,19,28H,8,10H2/b27-15-/t16-,17?,19-/m1/s1
InChIKey CRCGPAKBIIZFSD-LHIUBKDYSA-N
Molecular Weight 447.432 g/mol
SMILES O\N=C\1CC([C@@]2(O[C@]1(OC2)[H])[H])Sc1nc(C(F)(F)F)cc(n1)-c1cc2ccccc2cc1
SPLASH splash10-0a4i-9837200000-bb57b9e3581c11d1ea7d
Synonyms 2-[4-(2-naphthyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-one oxime 2-[[4-(2-naphthalenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one oxime 2-[[4-(2-naphthyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one oxime
Wiley ID 1464844