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4-Cyclohexene-1,3-dione, 2-ethyl-6-(hydroxymethylene)-2-methyl-5-(1-methylpropyl)-, (R*,R*)-(+)-
SpectraBase Compound ID 3u8O01sy5Rp
InChI InChI=1S/C14H20O3/c1-5-9(3)10-7-12(16)14(4,6-2)13(17)11(10)8-15/h7-9,15H,5-6H2,1-4H3/b11-8-/t9-,14-/m1/s1
InChIKey JGBKZRJZYDCGRW-QNBFTXPMSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tZTkzdfJF9
Name 4-Cyclohexene-1,3-dione, 2-ethyl-6-(hydroxymethylene)-2-methyl-5-(1-methylpropyl)-, (R*,R*)-(+)-
CAS Registry Number 108354-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-5-9(3)10-7-12(16)14(4,6-2)13(17)11(10)8-15/h7-9,15H,5-6H2,1-4H3/b11-8-/t9-,14-/m1/s1
InChIKey JGBKZRJZYDCGRW-QNBFTXPMSA-N
Molecular Weight 236.311 g/mol
SMILES O\C=C\1C(=CC([C@](C1=O)(CC)C)=O)[C@@](CC)(C)[H]
SPLASH splash10-0573-0890000000-d473082513396930127f
Source of Spectrum I-65-768-5
Synonyms (2R,6Z)-2-ethyl-6-(hydroxymethylene)-2-methyl-5-[(1R)-1-methylpropyl]-4-cyclohexene-1,3-dione Ceratenolone
Wiley ID 1238397