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(3S,4S)-3-(4-bromophenyl)-4-(4-chlorophenyl)-3-ethyl-4-(trifluoromethyl)oxetan-2-one
SpectraBase Compound ID A5AkS4haPDB
InChI InChI=1S/C18H13BrClF3O2/c1-2-16(11-3-7-13(19)8-4-11)15(24)25-17(16,18(21,22)23)12-5-9-14(20)10-6-12/h3-10H,2H2,1H3/t16-,17+/m1/s1
InChIKey AFYNQIXUNXYJSK-SJORKVTESA-N
Mol Weight 433.65 g/mol
Molecular Formula C18H13BrClF3O2
Exact Mass 431.973955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75C3gw7oJsd
Name (3S,4S)-3-(4-bromophenyl)-4-(4-chlorophenyl)-3-ethyl-4-(trifluoromethyl)oxetan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrClF3O2
InChI InChI=1S/C18H13BrClF3O2/c1-2-16(11-3-7-13(19)8-4-11)15(24)25-17(16,18(21,22)23)12-5-9-14(20)10-6-12/h3-10H,2H2,1H3/t16-,17+/m1/s1
InChIKey AFYNQIXUNXYJSK-SJORKVTESA-N
Literature Reference DOI 10.1021/ol901290z
Molecular Weight 433.652 g/mol
SMILES [C@]1(c2ccc(cc2)Cl)(C(F)(F)F)[C@@](C(O1)=O)(c1ccc(cc1)Br)CC
SPLASH splash10-00fr-0090000000-7cfffae596ae3c6a91fa
Source of Spectrum A1-11-4029/SMS13-3k
Wiley ID 1757087