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(2R,5R)-2-tert-Butyl-5-(3-trifluoromethyl-4-nitrophenyl)-5-phenyl-1,3-dioxolan-4-one
SpectraBase Compound ID HY5gPi2qinK
InChI InChI=1S/C20H18F3NO5/c1-18(2,3)17-28-16(25)19(29-17,12-7-5-4-6-8-12)13-9-10-15(24(26)27)14(11-13)20(21,22)23/h4-11,17H,1-3H3/t17-,19+/m0/s1
InChIKey LDNAHSJWERTXPA-PKOBYXMFSA-N
Mol Weight 409.36 g/mol
Molecular Formula C20H18F3NO5
Exact Mass 409.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hYFAzmDiOX
Name (2R,5R)-2-tert-Butyl-5-(3-trifluoromethyl-4-nitrophenyl)-5-phenyl-1,3-dioxolan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F3NO5
InChI InChI=1S/C20H18F3NO5/c1-18(2,3)17-28-16(25)19(29-17,12-7-5-4-6-8-12)13-9-10-15(24(26)27)14(11-13)20(21,22)23/h4-11,17H,1-3H3/t17-,19+/m0/s1
InChIKey LDNAHSJWERTXPA-PKOBYXMFSA-N
Molecular Weight 409.361 g/mol
SMILES [C@@]1(C(O[C@@](O1)(C(C)(C)C)[H])=O)(c1cc(C(F)(F)F)c(N(=O)=O)cc1)c1ccccc1
SPLASH splash10-0uxr-0094000000-6ee3142ebdc75460bf33
Source of Spectrum F-69-6826-4
Synonyms (2R,5R)-2-tert-butyl-5-[4-nitro-3-(trifluoromethyl)phenyl]-5-phenyl-1,3-dioxolan-4-one (2S,5R)-2-tert-Butyl-5-(3-trifluoromethyl-4-nitrophenyl)-5-phenyl-1,3-dioxolan-4-one
Wiley ID 1595715