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trans-3-Butyl-2-(4-fluorophenyl)cyclohexan-1-one
SpectraBase Compound ID 8VLMShjw8w5
InChI InChI=1S/C16H21FO/c1-2-3-5-12-6-4-7-15(18)16(12)13-8-10-14(17)11-9-13/h8-12,16H,2-7H2,1H3/t12-,16-/m1/s1
InChIKey ZRXUTJXXKZSHQY-MLGOLLRUSA-N
Mol Weight 248.34 g/mol
Molecular Formula C16H21FO
Exact Mass 248.157643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24ska3k1HU
Name trans-3-Butyl-2-(4-fluorophenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21FO
InChI InChI=1S/C16H21FO/c1-2-3-5-12-6-4-7-15(18)16(12)13-8-10-14(17)11-9-13/h8-12,16H,2-7H2,1H3/t12-,16-/m1/s1
InChIKey ZRXUTJXXKZSHQY-MLGOLLRUSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 248.341 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccc(cc1)F)[H])=O
SPLASH splash10-0kmj-9600000000-deab001cf42b51a753f2
Source of Spectrum KD-52-2382/SM8-3b
Synonyms (2R,3R)-3-butyl-2-(4-fluorophenyl)cyclohexan-1-one
Wiley ID 1803715