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Butanoic acid, 4-fluoro-4-[(4-methoxyphenyl)thio]-, ethyl ester, (.+-.)-
SpectraBase Compound ID LKwAaWCzr8v
InChI InChI=1S/C13H17FO3S/c1-3-17-13(15)9-8-12(14)18-11-6-4-10(16-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKey SBECJCJBQVPUOU-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H17FO3S
Exact Mass 272.088244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ksWCGy78uA
Name Butanoic acid, 4-fluoro-4-[(4-methoxyphenyl)thio]-, ethyl ester, (.+-.)-
Alternate Name(s) Ethyl 4-fluoro-4-[(4-methoxyphenyl)sulfanyl]butanoate
CAS Registry Number 127594-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17FO3S
InChI InChI=1S/C13H17FO3S/c1-3-17-13(15)9-8-12(14)18-11-6-4-10(16-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKey SBECJCJBQVPUOU-UHFFFAOYSA-N
Molecular Weight 272.334 g/mol
SMILES C(=O)(CCC(Sc1ccc(cc1)OC)F)OCC
SPLASH splash10-0a4i-0930000000-784cbc8d18560e307c87
Source of Spectrum J-55-4759-2
Wiley ID 1275862