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(3S,4S)-3-butyl-4-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)oxetan-2-one
SpectraBase Compound ID 95F2WR4DQrJ
InChI InChI=1S/C20H18ClF3O2/c1-2-3-13-18(14-7-5-4-6-8-14)17(25)26-19(18,20(22,23)24)15-9-11-16(21)12-10-15/h4-12H,2-3,13H2,1H3/t18-,19+/m1/s1
InChIKey MVLZOGNETQKJOG-MOPGFXCFSA-N
Mol Weight 382.81 g/mol
Molecular Formula C20H18ClF3O2
Exact Mass 382.094742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iyn6U01WGSW
Name (3S,4S)-3-butyl-4-(4-chlorophenyl)-3-phenyl-4-(trifluoromethyl)oxetan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClF3O2
InChI InChI=1S/C20H18ClF3O2/c1-2-3-13-18(14-7-5-4-6-8-14)17(25)26-19(18,20(22,23)24)15-9-11-16(21)12-10-15/h4-12H,2-3,13H2,1H3/t18-,19+/m1/s1
InChIKey MVLZOGNETQKJOG-MOPGFXCFSA-N
Molecular Weight 382.810 g/mol
SMILES [C@]1(c2ccc(cc2)Cl)(C(F)(F)F)[C@@](C(O1)=O)(c1ccccc1)CCCC
SPLASH splash10-00di-0900000000-5c0174c3b064f4b06e11
Source of Spectrum A1-11-4029/SMS16-3n
Wiley ID 1757090