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4'-Butyl-5-chloro-6'-cyano-2'-fluoro-3'-hydroxybiphenyl-2-yl ethyl carbonate
SpectraBase Compound ID 6DQ3fEPXSOD
InChI InChI=1S/C20H19ClFNO4/c1-3-5-6-12-9-13(11-23)17(18(22)19(12)24)15-8-7-14(21)10-16(15)27-20(25)26-4-2/h7-10,24H,3-6H2,1-2H3
InChIKey BZWYMKMFEIDNAQ-UHFFFAOYSA-N
Mol Weight 391.83 g/mol
Molecular Formula C20H19ClFNO4
Exact Mass 391.098664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGW6a3767oa
Name 4'-Butyl-5-chloro-6'-cyano-2'-fluoro-3'-hydroxybiphenyl-2-yl ethyl carbonate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClFNO4
InChI InChI=1S/C20H19ClFNO4/c1-3-5-6-12-9-13(11-23)17(18(22)19(12)24)15-8-7-14(21)10-16(15)27-20(25)26-4-2/h7-10,24H,3-6H2,1-2H3
InChIKey BZWYMKMFEIDNAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo1018443
Molecular Weight 391.826 g/mol
SMILES Oc1c(cc(c(c1F)-c1ccc(cc1OC(OCC)=O)Cl)C#N)CCCC
SPLASH splash10-004i-1095000000-a1bc86847a1bbc376815
Source of Spectrum J-75-8315/SMS27-6s
Synonyms 4'-butyl-4-chloro-6'-cyano-2'-fluoro-3'-hydroxy-[1,1'-biphenyl]-2-yl ethyl carbonate
Wiley ID 1751841