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trans-3-Butyl-2-(4-methoxyphenyl)cyclohexan-1-one
SpectraBase Compound ID 1Oj9Oxidqah
InChI InChI=1S/C17H24O2/c1-3-4-6-13-7-5-8-16(18)17(13)14-9-11-15(19-2)12-10-14/h9-13,17H,3-8H2,1-2H3/t13-,17-/m1/s1
InChIKey BMMZKDFYPCLISU-CXAGYDPISA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47WX8R1iRbm
Name trans-3-Butyl-2-(4-methoxyphenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-3-4-6-13-7-5-8-16(18)17(13)14-9-11-15(19-2)12-10-14/h9-13,17H,3-8H2,1-2H3/t13-,17-/m1/s1
InChIKey BMMZKDFYPCLISU-CXAGYDPISA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 260.377 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1ccc(cc1)OC)[H])=O
SPLASH splash10-0a4i-5910000000-1629c5f5679d4525f076
Source of Spectrum KD-52-2382/SM12-3i
Synonyms (2R,3R)-3-butyl-2-(4-methoxyphenyl)cyclohexan-1-one
Wiley ID 1803722