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(4-S)-PARECTADIAL
SpectraBase Compound ID 6lVpedlLxyO
InChI InChI=1S/C10H12O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,6-7,10H,1,3-5H2/t10-/m1/s1
InChIKey LMTPRFICCZFNBL-SNVBAGLBSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtZsnbLEIzj
Name (4S)-(3-oxoprop-1-en-2-yl)cyclohex-1-enecarbaldehyde
Alternate Name(s) (4S)-parectadial
Appearance Colorless, odorless oil
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Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,6-7,10H,1,3-5H2/t10-/m1/s1
InChIKey LMTPRFICCZFNBL-SNVBAGLBSA-N
Instrument Name Agilent 6890 N
Ionization Type EI
Literature Reference DOI 10.1021/np070151g
Molecular Weight 164.204 g/mol
Reported Formula C10H12O2
SMILES C1=C(CC[C@@](C1)(C(C=O)=C)[H])C=O
SPLASH splash10-0kdl-9500000000-72273d71f17cea3af995
Source of Spectrum G4-70-SM2-1
Thin-Layer Chromatography Rf = 0.5 (hexane/EtOAc, 6:4)
Wiley ID 1874612