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(S)-1-(3-fluoro-4-methoxyphenyl)butan-2-ol
SpectraBase Compound ID AkvRT6GMRvF
InChI InChI=1S/C11H15FO2/c1-3-9(13)6-8-4-5-11(14-2)10(12)7-8/h4-5,7,9,13H,3,6H2,1-2H3/t9-/m0/s1
InChIKey DQDWILJYRKHDEN-VIFPVBQESA-N
Mol Weight 198.24 g/mol
Molecular Formula C11H15FO2
Exact Mass 198.105608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nNYlJnqn2m
Name (S)-1-(3-fluoro-4-methoxyphenyl)butan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15FO2
InChI InChI=1S/C11H15FO2/c1-3-9(13)6-8-4-5-11(14-2)10(12)7-8/h4-5,7,9,13H,3,6H2,1-2H3/t9-/m0/s1
InChIKey DQDWILJYRKHDEN-VIFPVBQESA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202214377
Molecular Weight 198.237 g/mol
Optical Rotation [a]D20 = +21.5 (c = 0.78, CHCl3)
Quality 132
Reported Formula C11H15FO2
SMILES O[C@](CC1=CC(F)=C(C=C1)OC)(CC)[H]
SPLASH splash10-002f-0900000000-d28d0e2c9da1d0efa1ce
Source of Spectrum ACI-62-SM31-(S)-7m (DOI: 10.1002/anie.202214377)
Wiley ID 1908255