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Rac-ethyl (2S,3S)-2-[(2R,4R)-2,4-bis(3-fluorophenyl)-5-isopropyl-4H-1,3-dioxin-6-yl]-3-(3-fluorophenyl)-3-hydroxypropanoate

View entire compound with spectra: 1 MS (GC)

Rac-ethyl (2S,3S)-2-[(2R,4R)-2,4-bis(3-fluorophenyl)-5-isopropyl-4H-1,3-dioxin-6-yl]-3-(3-fluorophenyl)-3-hydroxypropanoate
SpectraBase Compound ID 3puRLiraZ0I
InChI InChI=1S/C30H29F3O5/c1-4-36-29(35)25(26(34)18-8-5-11-21(31)14-18)28-24(17(2)3)27(19-9-6-12-22(32)15-19)37-30(38-28)20-10-7-13-23(33)16-20/h5-17,25-27,30,34H,4H2,1-3H3/t25-,26+,27+,30+/m0/s1
InChIKey LYYXFNNOFBEXIJ-LSMVNSQTSA-N
Mol Weight 526.55 g/mol
Molecular Formula C30H29F3O5
Exact Mass 526.196709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8idR0301CP2
Name Rac-ethyl (2S,3S)-2-[(2R,4R)-2,4-bis(3-fluorophenyl)-5-isopropyl-4H-1,3-dioxin-6-yl]-3-(3-fluorophenyl)-3-hydroxypropanoate
Alternate Name(s) (2S,3S)-ethyl 2-((2R,4R)-2,4-bis(3-fluorophenyl)-5-isopropyl-4H-1,3-dioxin-6-yl)-3-(3-fluorophenyl)-3-hydroxypropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29F3O5
InChI InChI=1S/C30H29F3O5/c1-4-36-29(35)25(26(34)18-8-5-11-21(31)14-18)28-24(17(2)3)27(19-9-6-12-22(32)15-19)37-30(38-28)20-10-7-13-23(33)16-20/h5-17,25-27,30,34H,4H2,1-3H3/t25-,26+,27+,30+/m0/s1
InChIKey LYYXFNNOFBEXIJ-LSMVNSQTSA-N
Molecular Weight 526.552 g/mol
SMILES O[C@@]([C@@](C1=C([C@](O[C@](O1)(c1cc(ccc1)F)[H])(c1cccc(c1)F)[H])C(C)C)(C(OCC)=O)[H])(c1cccc(c1)F)[H]
SPLASH splash10-08ou-1922100000-9462442a0657cd0b0a49
Source of Spectrum ASC-355-n/a/SM36-11g
Wiley ID 1761907