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Butanoic acid, 4-fluoro-4-[(4-methoxyphenyl)sulfinyl]-, ethyl ester, (R*,R*)-(.+-.)-
SpectraBase Compound ID GkfP18Ds9sb
InChI InChI=1S/C13H17FO4S/c1-3-18-13(15)9-8-12(14)19(16)11-6-4-10(17-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3/t12-,19?/m1/s1
InChIKey KKBSJBSIGBQPOY-ISGGMURCSA-N
Mol Weight 288.33 g/mol
Molecular Formula C13H17FO4S
Exact Mass 288.083158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QrrQXYGDLA
Name Butanoic acid, 4-fluoro-4-[(4-methoxyphenyl)sulfinyl]-, ethyl ester, (R*,R*)-(.+-.)-
Alternate Name(s) Ethyl (4R)-4-fluoro-4-[(4-methoxyphenyl)sulfinyl]butanoate
CAS Registry Number 127595-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17FO4S
InChI InChI=1S/C13H17FO4S/c1-3-18-13(15)9-8-12(14)19(16)11-6-4-10(17-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3/t12-,19?/m1/s1
InChIKey KKBSJBSIGBQPOY-ISGGMURCSA-N
Molecular Weight 288.333 g/mol
SMILES [C@]([S@@](c1ccc(cc1)OC)=O)(CCC(=O)OCC)(F)[H]
SPLASH splash10-0a4i-1900000000-6c219a2891db1d3a712f
Source of Spectrum J-55-4759-3
Wiley ID 1291398