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2-[(1S)-1-(3,5-dimethoxyphenyl)-2-oxo-cyclopentyl]acetaldehyde
SpectraBase Compound ID EhdCoYkKxCq
InChI InChI=1S/C15H18O4/c1-18-12-8-11(9-13(10-12)19-2)15(6-7-16)5-3-4-14(15)17/h7-10H,3-6H2,1-2H3/t15-/m0/s1
InChIKey FPGHPZIDJOCJJR-HNNXBMFYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGBrKbX3pNK
Name 2-[(1S)-1-(3,5-dimethoxyphenyl)-2-oxo-cyclopentyl]acetaldehyde
Appearance Colorless oil
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Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-18-12-8-11(9-13(10-12)19-2)15(6-7-16)5-3-4-14(15)17/h7-10H,3-6H2,1-2H3/t15-/m0/s1
InChIKey FPGHPZIDJOCJJR-HNNXBMFYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502700
Molecular Weight 262.305 g/mol
Quality 151
Reported Formula C15H18O4
SMILES C1CC([C@](C1)(C1=CC(=CC(=C1)OC)OC)CC=O)=O
SPLASH splash10-0aor-9120000000-5ae1376fecd0f44725df
Sample Comments 96.5% ee
Source of Spectrum QE-21-SM15-2m (DOI: 10.1002/chem.201502700)
Wiley ID 1907234