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Methyl (R)-2-(4-fluorophenyl)propionate
SpectraBase Compound ID LBLiKi9rjJK
InChI InChI=1S/C10H11FO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3/t7-/m1/s1
InChIKey HRSNKYJSOMIHNH-SSDOTTSWSA-N
Mol Weight 182.19 g/mol
Molecular Formula C10H11FO2
Exact Mass 182.074308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DHIgG9hsYo
Name Methyl (R)-2-(4-fluorophenyl)propionate
Appearance Colourless oil
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Exact Mass 182.074307755 u
Formula C10H11FO2
InChI InChI=1S/C10H11FO2/c1-7(10(12)13-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3/t7-/m1/s1
InChIKey HRSNKYJSOMIHNH-SSDOTTSWSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603022
Molecular Weight 182.194 g/mol
Optical Rotation [a]D20 = -42.9 (c = 0.14, CHCl3)
Quality 56
Reported Formula C10H11FO2
SMILES COC([C@](C)(C1=CC=C(C=C1)F)[H])=O
SPLASH splash10-00e9-0900000000-5320a4b3ca6853fd6797
Sample Comments 45% ee
Source of Spectrum QE-22-SM29-9h (DOI: 10.1002/chem.201603022)
Wiley ID 1905252