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Acetic acid, (3,4-dimethoxyphenyl)fluoro-, ethyl ester
SpectraBase Compound ID 5bUc1Sjf0QQ
InChI InChI=1S/C12H15FO4/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7,11H,4H2,1-3H3
InChIKey CKXMGNFUEAGEHE-UHFFFAOYSA-N
Mol Weight 242.25 g/mol
Molecular Formula C12H15FO4
Exact Mass 242.095437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kycpbdcva2K
Name Acetic acid, (3,4-dimethoxyphenyl)fluoro-, ethyl ester
Alternate Name(s) Benzeneacetic acid, .alpha.-fluoro-3,4-dimethoxy-, ethyl ester ethyl (3,4-dimethoxyphenyl)(fluoro)acetate Ethyl 2-fluoro-2-(3,4-dimethoxyphenyl)acetate 2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid ethyl ester ethyl 2-(3,4-dimethoxyphenyl)-2-fluoroacetate ethyl 2-(3,4-dimethoxyphenyl)-2-fluoro-acetate ethyl 2-(3,4-dimethoxyphenyl)-2-fluoranyl-ethanoate
CAS Registry Number 29229-86-5
Comments Less than 3 mono-isotopic peaks
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Formula C12H15FO4
InChI InChI=1S/C12H15FO4/c1-4-17-12(14)11(13)8-5-6-9(15-2)10(7-8)16-3/h5-7,11H,4H2,1-3H3
InChIKey CKXMGNFUEAGEHE-UHFFFAOYSA-N
Molecular Weight 242.246 g/mol
SMILES c1(C(C(=O)OCC)F)cc(OC)c(cc1)OC
SPLASH splash10-014i-0910000000-9d43c1b415e703dd1c03
Source of Spectrum F-45-4441-2
Wiley ID 1244788