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Benzenepropanol, 2,3,4,5,6-pentafluoro-.beta.-methyl-.gamma.-phenyl-, (R*,S*)-
SpectraBase Compound ID 7R3M09vZqm3
InChI InChI=1S/C16H13F5O/c1-8(7-22)10(9-5-3-2-4-6-9)11-12(17)14(19)16(21)15(20)13(11)18/h2-6,8,10,22H,7H2,1H3/t8-,10-/m0/s1
InChIKey YVLXLXFOVCNBRZ-WPRPVWTQSA-N
Mol Weight 316.27 g/mol
Molecular Formula C16H13F5O
Exact Mass 316.088656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5U1Qf49g2qN
Name Benzenepropanol, 2,3,4,5,6-pentafluoro-.beta.-methyl-.gamma.-phenyl-, (R*,S*)-
CAS Registry Number 132317-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F5O
InChI InChI=1S/C16H13F5O/c1-8(7-22)10(9-5-3-2-4-6-9)11-12(17)14(19)16(21)15(20)13(11)18/h2-6,8,10,22H,7H2,1H3/t8-,10-/m0/s1
InChIKey YVLXLXFOVCNBRZ-WPRPVWTQSA-N
Molecular Weight 316.271 g/mol
SMILES OC[C@@]([C@](c1c(c(F)c(c(c1F)F)F)F)(c1ccccc1)[H])(C)[H]
SPLASH splash10-0a4s-0090000000-eaca24dad40afbf7ebf0
Source of Spectrum J-56-1026-22
Synonyms (2R,3S)-2-methyl-3-(2,3,4,5,6-pentafluorophenyl)-3-phenyl-1-propanol syn-2-methyl-3-phenyl-3-(perfluorophenyl)-1-propanol
Wiley ID 1316573