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2-((1r,4r)-4-(4-Chlorophenyl)cyclohexyl)-1-(3,5-dimethoxyphenyl)ethan-1-one
SpectraBase Compound ID LkotKJnG2X3
InChI InChI=1S/C22H25ClO3/c1-25-20-12-18(13-21(14-20)26-2)22(24)11-15-3-5-16(6-4-15)17-7-9-19(23)10-8-17/h7-10,12-16H,3-6,11H2,1-2H3/t15-,16-
InChIKey NJUVLPJZSRMNHS-WKILWMFISA-N
Mol Weight 372.89 g/mol
Molecular Formula C22H25ClO3
Exact Mass 372.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 741PqkzKsRW
Name 2-((1r,4r)-4-(4-Chlorophenyl)cyclohexyl)-1-(3,5-dimethoxyphenyl)ethan-1-one
Appearance White solid
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Formula C22H25ClO3
InChI InChI=1S/C22H25ClO3/c1-25-20-12-18(13-21(14-20)26-2)22(24)11-15-3-5-16(6-4-15)17-7-9-19(23)10-8-17/h7-10,12-16H,3-6,11H2,1-2H3/t15-,16-
InChIKey NJUVLPJZSRMNHS-WKILWMFISA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102805
Molecular Weight 372.892 g/mol
Quality 27
Reported Formula C22H25O3Cl
SMILES C1(Cl)=CC=C(C=C1)[C@]1(CC[C@@](CC1)(CC(=O)C1=CC(=CC(=C1)OC)OC)[H])[H]
SPLASH splash10-0f6x-0910000000-f4003df196a0eab288da
Source of Spectrum QE-27-SM48-3ho (DOI: 10.1002/chem.202102805)
Wiley ID 1902254