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(3S,4R)-3-tert-Butyl-1-(toluene-4-sulfonyl)-4-trifluoromethyl-azetidin-2-one
SpectraBase Compound ID BLvvZ5nnNjM
InChI InChI=1S/C15H18F3NO3S/c1-9-5-7-10(8-6-9)23(21,22)19-12(15(16,17)18)11(13(19)20)14(2,3)4/h5-8,11-12H,1-4H3/t11-,12+/m0/s1
InChIKey XHDBFSIINRQWFC-NWDGAFQWSA-N
Mol Weight 349.37 g/mol
Molecular Formula C15H18F3NO3S
Exact Mass 349.095949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmQWFHnVhud
Name (3S,4R)-3-tert-Butyl-1-(toluene-4-sulfonyl)-4-trifluoromethyl-azetidin-2-one
Alternate Name(s) trans-1-Tosyl-3-tert-butyl-4-(trifluoromethyl)azetidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18F3NO3S
InChI InChI=1S/C15H18F3NO3S/c1-9-5-7-10(8-6-9)23(21,22)19-12(15(16,17)18)11(13(19)20)14(2,3)4/h5-8,11-12H,1-4H3/t11-,12+/m0/s1
InChIKey XHDBFSIINRQWFC-NWDGAFQWSA-N
Molecular Weight 349.368 g/mol
SMILES c1(S(N2[C@@](C(F)(F)F)([C@@](C2=O)(C(C)(C)C)[H])[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0pbc-4910000000-8c61f788e58b8a0479dc
Source of Spectrum F-67-3258-5f
Wiley ID 1686316