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(3R*,5S*,6R*)-5-(2-Chloroanilino)-3-isopropyl-6-methyl-6-phenyl-1,2,4-trioxane
SpectraBase Compound ID 5M3wvbwIOt0
InChI InChI=1S/C19H22ClNO3/c1-13(2)17-22-18(21-16-12-8-7-11-15(16)20)19(3,24-23-17)14-9-5-4-6-10-14/h4-13,17-18,21H,1-3H3/t17-,18+,19-/m1/s1
InChIKey KSSJXTUNFBFTSQ-CEXWTWQISA-N
Mol Weight 347.84 g/mol
Molecular Formula C19H22ClNO3
Exact Mass 347.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 696DQKG7CQI
Name (3R*,5S*,6R*)-5-(2-Chloroanilino)-3-isopropyl-6-methyl-6-phenyl-1,2,4-trioxane
Alternate Name(s) (3R,5S,6R)-N-(2-chlorophenyl)-3-isopropyl-6-methyl-6-phenyl-1,2,4-trioxan-5-amine N-(2-chlorophenyl)-N-[(3R,5S,6R)-3-isopropyl-6-methyl-6-phenyl-1,2,4-trioxan-5-yl]amine
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Formula C19H22ClNO3
InChI InChI=1S/C19H22ClNO3/c1-13(2)17-22-18(21-16-12-8-7-11-15(16)20)19(3,24-23-17)14-9-5-4-6-10-14/h4-13,17-18,21H,1-3H3/t17-,18+,19-/m1/s1
InChIKey KSSJXTUNFBFTSQ-CEXWTWQISA-N
Molecular Weight 347.842 g/mol
SMILES N([C@@]1([C@](OO[C@](C(C)C)(O1)[H])(c1ccccc1)C)[H])c1c(Cl)cccc1
SPLASH splash10-05fr-0900000000-f25258e2dc07665420e2
Source of Spectrum AJ-62-4052-7
Wiley ID 1340016