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2-Chloro-1-[2-(trifluoroacetylamido)]-1-hydroxy-5-methoxy-4,6-dimethylindan

View entire compound with spectra: 1 MS (GC)

2-Chloro-1-[2-(trifluoroacetylamido)]-1-hydroxy-5-methoxy-4,6-dimethylindan
SpectraBase Compound ID 8s5JP5z9iXQ
InChI InChI=1S/C20H19ClF3NO3/c1-10-8-14-12(11(2)17(10)28-3)9-16(21)19(14,27)13-6-4-5-7-15(13)25-18(26)20(22,23)24/h4-8,16,27H,9H2,1-3H3,(H,25,26)/t16-,19-/m1/s1
InChIKey UDJJBLHWJWARSL-VQIMIIECSA-N
Mol Weight 413.82 g/mol
Molecular Formula C20H19ClF3NO3
Exact Mass 413.100556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EUAzo9Psuc
Name 2-Chloro-1-[2-(trifluoroacetylamido)]-1-hydroxy-5-methoxy-4,6-dimethylindan
Comments Less than 3 mono-isotopic peaks
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Formula C20H19ClF3NO3
InChI InChI=1S/C20H19ClF3NO3/c1-10-8-14-12(11(2)17(10)28-3)9-16(21)19(14,27)13-6-4-5-7-15(13)25-18(26)20(22,23)24/h4-8,16,27H,9H2,1-3H3,(H,25,26)/t16-,19-/m1/s1
InChIKey UDJJBLHWJWARSL-VQIMIIECSA-N
Molecular Weight 413.824 g/mol
SMILES N(C(C(F)(F)F)=O)c1c([C@]2(c3c(c(C)c(c(c3)C)OC)C[C@]2(Cl)[H])O)cccc1
SPLASH splash10-0002-0009400000-1b7be607d963ff59cd74
Source of Spectrum F-48-175-15
Synonyms (1S,2R)-2-Chloro-1-[2-(trifluoroacetylamido)]-1-hydroxy-5-methoxy-4,6-dimethylindan
Wiley ID 1374969