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(S)-2-(2-oxo-1-(p-tolyl)cyclopentyl)acetaldehyde
SpectraBase Compound ID 1cmrkYcDKB4
InChI InChI=1S/C14H16O2/c1-11-4-6-12(7-5-11)14(9-10-15)8-2-3-13(14)16/h4-7,10H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKey DKABKPZJSVYSLQ-AWEZNQCLSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy2IM560wK8
Name (S)-2-(2-oxo-1-(p-tolyl)cyclopentyl)acetaldehyde
Appearance Colorless oil
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Exact Mass 216.115029753 u
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-11-4-6-12(7-5-11)14(9-10-15)8-2-3-13(14)16/h4-7,10H,2-3,8-9H2,1H3/t14-/m0/s1
InChIKey DKABKPZJSVYSLQ-AWEZNQCLSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502700
Molecular Weight 216.280 g/mol
Quality 39
Reported Formula C14H16O2
SMILES C1CC([C@](C1)(C1=CC=C(C=C1)C)CC=O)=O
SPLASH splash10-066r-9310000000-2b4b8b846eb6950046d0
Sample Comments 95% ee
Source of Spectrum QE-21-SM11-2b (DOI: 10.1002/chem.201502700)
Wiley ID 1907223