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methyl (2RS)-3-(2-isopropenylphenyl)-2-[(1RS)-2-oxocyclohexyl]propanoate
SpectraBase Compound ID A4n67i0zmjv
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-/m1/s1
InChIKey ALVBIXVSJIZKBO-IAGOWNOFSA-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 BWsGLX7NQ8x
Name methyl (2RS)-3-(2-isopropenylphenyl)-2-[(1RS)-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-/m1/s1
InChIKey ALVBIXVSJIZKBO-IAGOWNOFSA-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 splash10-0006-0910000000-778ba107842cd05cd68d
Source of Spectrum BJO-6-SM12-7b
Wiley ID 1871715