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Propanoic acid, 3-(2,5-difluorophenyl)-, pentyl ester
SpectraBase Compound ID G9TqE5ysNc5
InChI InChI=1S/C14H18F2O2/c1-2-3-4-9-18-14(17)8-5-11-10-12(15)6-7-13(11)16/h6-7,10H,2-5,8-9H2,1H3
InChIKey IFOBBGBRRPWPMQ-UHFFFAOYSA-N
Mol Weight 256.29 g/mol
Molecular Formula C14H18F2O2
Exact Mass 256.127486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PbEGlNrBHu
Name Propanoic acid, 3-(2,5-difluorophenyl)-, pentyl ester
Alternate Name(s) 3-(2,5-difluorophenyl)propanoic acid pentyl ester 3-(2,5-difluorophenyl)propionic acid amyl ester Pentyl 3-(2,5-difluorophenyl)propanoate Pentyl 3-[2,5-bis(fluoranyl)phenyl]propanoate
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Formula C14H18F2O2
InChI InChI=1S/C14H18F2O2/c1-2-3-4-9-18-14(17)8-5-11-10-12(15)6-7-13(11)16/h6-7,10H,2-5,8-9H2,1H3
InChIKey IFOBBGBRRPWPMQ-UHFFFAOYSA-N
Molecular Weight 256.293 g/mol
SMILES C(=O)(CCc1c(ccc(c1)F)F)OCCCCC
SPLASH splash10-0006-5900000000-4e1ab5786c5781f3afe8
Wiley ID 1493928