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(R)-6-(4-fluorophenyl)-2-methylhexan-3-ol
SpectraBase Compound ID 9XKC11MJUmH
InChI InChI=1S/C13H19FO/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13,15H,3-5H2,1-2H3/t13-/m1/s1
InChIKey DKVYCOGHBLDPCV-CYBMUJFWSA-N
Mol Weight 210.29 g/mol
Molecular Formula C13H19FO
Exact Mass 210.141993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjqOtHrn5h9
Name (R)-6-(4-fluorophenyl)-2-methylhexan-3-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.141993394 u
Formula C13H19FO
InChI InChI=1S/C13H19FO/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13,15H,3-5H2,1-2H3/t13-/m1/s1
InChIKey DKVYCOGHBLDPCV-CYBMUJFWSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202214377
Molecular Weight 210.292 g/mol
Optical Rotation [a]D20 = -16.7 (c = 1.63, CHCl3)
Quality 25
Reported Formula C13H19FO
SMILES O[C@](CCCC1=CC=C(F)C=C1)(C(C)C)[H]
SPLASH splash10-00di-0900000000-4fcb1b6f579a3fb26233
Source of Spectrum ACI-62-SM30-(R)-7l (DOI: 10.1002/anie.202214377)
Wiley ID 1908219