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4-(4-Chloro-3-(trifluoromethyl)phenyl)-3,6-dihydro-2H-pyran
SpectraBase Compound ID JLdfUL7CFy2
InChI InChI=1S/C12H10ClF3O/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-3,7H,4-6H2
InChIKey LSSHVQLYAWWYIN-UHFFFAOYSA-N
Mol Weight 262.66 g/mol
Molecular Formula C12H10ClF3O
Exact Mass 262.037227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiP1UYc1ZtJ
Name 4-(4-Chloro-3-(trifluoromethyl)phenyl)-3,6-dihydro-2H-pyran
Appearance Colorless oil
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Formula C12H10ClF3O
InChI InChI=1S/C12H10ClF3O/c13-11-2-1-9(7-10(11)12(14,15)16)8-3-5-17-6-4-8/h1-3,7H,4-6H2
InChIKey LSSHVQLYAWWYIN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI pos
Literature Reference DOI 10.1002/anie.201810327
Molecular Weight 262.659 g/mol
Reported Formula C12H10ClF3O
SMILES c1(c(cc(cc1)C=1CCOCC1)C(F)(F)F)Cl
SPLASH splash10-004i-0950000000-ade4f991fdaf27d0b504
Source of Spectrum ACI-58-SM18-6i
Thin-Layer Chromatography Rf = 0.35 (hexane/EtOAc 90:10, UV, KMnO4, PAA)
Wiley ID 1840519