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(S)-2-(1-(2-methoxy-5-methylphenyl)-2-oxocyclopentyl)acetaldehyde
SpectraBase Compound ID DHVdh71qBbQ
InChI InChI=1S/C15H18O3/c1-11-5-6-13(18-2)12(10-11)15(8-9-16)7-3-4-14(15)17/h5-6,9-10H,3-4,7-8H2,1-2H3/t15-/m0/s1
InChIKey VDLVMEUDUXZPEN-HNNXBMFYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OaaE6ZsNSI
Name (S)-2-(1-(2-methoxy-5-methylphenyl)-2-oxocyclopentyl)acetaldehyde
Appearance Colorless oil
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Exact Mass 246.125594437 u
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-11-5-6-13(18-2)12(10-11)15(8-9-16)7-3-4-14(15)17/h5-6,9-10H,3-4,7-8H2,1-2H3/t15-/m0/s1
InChIKey VDLVMEUDUXZPEN-HNNXBMFYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502700
Molecular Weight 246.306 g/mol
Quality 191
Reported Formula C15H18O3
SMILES C1CC([C@](C1)(C1=C(C=CC(=C1)C)OC)CC=O)=O
SPLASH splash10-0kvn-7940000000-4b547caa27fec0a592da
Sample Comments 80% ee
Source of Spectrum QE-21-SM15-2l (DOI: 10.1002/chem.201502700)
Wiley ID 1907233