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2-[(1S)-2-oxo-1-(3,4,5-trimethoxyphenyl)cyclopentyl]acetaldehyde
SpectraBase Compound ID 3y4DWSRxtCE
InChI InChI=1S/C16H20O5/c1-19-12-9-11(10-13(20-2)15(12)21-3)16(7-8-17)6-4-5-14(16)18/h8-10H,4-7H2,1-3H3/t16-/m0/s1
InChIKey GTWIXLRLMMBJIY-INIZCTEOSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UMl9S5dg0
Name 2-[(1S)-2-oxo-1-(3,4,5-trimethoxyphenyl)cyclopentyl]acetaldehyde
Appearance Colorless oil
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Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-19-12-9-11(10-13(20-2)15(12)21-3)16(7-8-17)6-4-5-14(16)18/h8-10H,4-7H2,1-3H3/t16-/m0/s1
InChIKey GTWIXLRLMMBJIY-INIZCTEOSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502700
Quality 78
Reported Formula C16H20O5
SMILES C1CC([C@](C1)(C1=CC(=C(C(=C1)OC)OC)OC)CC=O)=O
SPLASH splash10-067j-9000000000-e46b0174f22e574bc26f
Sample Comments 90% ee
Source of Spectrum QE-21-SM16-2n (DOI: 10.1002/chem.201502700)
Wiley ID 1907235