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trans-2-(4-Bromophenyl)-3-butylcyclohexan-1-one
SpectraBase Compound ID LxhcjRr7zX6
InChI InChI=1S/C16H21BrO/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 INIKLIAAJCMJDG-MLGOLLRUSA-N
Mol Weight 309.25 g/mol
Molecular Formula C16H21BrO
Exact Mass 308.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mEdIGTiTDg
Name trans-2-(4-Bromophenyl)-3-butylcyclohexan-1-one
Alternate Name(s) (2R,3R)-2-(4-bromophenyl)-3-butylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21BrO
InChI InChI=1S/C16H21BrO/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 INIKLIAAJCMJDG-MLGOLLRUSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 309.247 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccc(cc1)Br)[H])=O
SPLASH splash10-02u0-0913000000-7d0835db10d89db774a2
Source of Spectrum KD-52-2382/SM9-3d
Wiley ID 1803717