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Methyl (2RS)-3-(2-isopropenylphenyl)-2-[(1SR)-2-oxocyclohexyl]propanoate
SpectraBase Compound ID FR0W9VcWQ0t
InChI InChI=1S/C19H24O3/c1-13(2)15-9-5-4-8-14(15)12-17(19(21)22-3)16-10-6-7-11-18(16)20/h4-5,8-9,16-17H,1,6-7,10-12H2,2-3H3/t16-,17+/m0/s1
InChIKey ALVBIXVSJIZKBO-DLBZAZTESA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqoXhAvONvf
Name Methyl (2RS)-3-(2-isopropenylphenyl)-2-[(1SR)-2-oxocyclohexyl]propanoate
Appearance Colourless oil
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Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-13(2)15-9-5-4-8-14(15)12-17(19(21)22-3)16-10-6-7-11-18(16)20/h4-5,8-9,16-17H,1,6-7,10-12H2,2-3H3/t16-,17+/m0/s1
InChIKey ALVBIXVSJIZKBO-DLBZAZTESA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.6.141
Molecular Weight 300.398 g/mol
Reported Formula C19H24O3
SMILES c1c(c(ccc1)C[C@]([C@]1(C(CCCC1)=O)[H])(C(OC)=O)[H])C(C)=C
SPLASH splash10-0007-9631000000-9d237bc1f53030df76a0
Source of Spectrum BJO-6-SM11-7a
Wiley ID 1871714