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4-{(1R,3S)-3-(2-Hydroxy-ethyl)-2-[1-methoxy-meth-(E)-ylidene]-cyclohexyl}-butan-2-one
SpectraBase Compound ID JkA4ni5ycsY
InChI InChI=1S/C14H24O3/c1-11(16)6-7-12-4-3-5-13(8-9-15)14(12)10-17-2/h10,12-13,15H,3-9H2,1-2H3/b14-10+/t12-,13+/m1/s1
InChIKey BHLMJNJAXKSPSJ-BEFZUUHMSA-N
Mol Weight 240.34 g/mol
Molecular Formula C14H24O3
Exact Mass 240.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeW1oCIZd9
Name 4-{(1R,3S)-3-(2-Hydroxy-ethyl)-2-[1-methoxy-meth-(E)-ylidene]-cyclohexyl}-butan-2-one
Alternate Name(s) 3-(3-Oxobutyl)-2-(methoxymethylene)-1-(2-hydroxyethyl)cyclohexane 4-[(1R,2E,3S)-3-(2-hydroxyethyl)-2-(methoxymethylene)cyclohexyl]-2-butanone
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Formula C14H24O3
InChI InChI=1S/C14H24O3/c1-11(16)6-7-12-4-3-5-13(8-9-15)14(12)10-17-2/h10,12-13,15H,3-9H2,1-2H3/b14-10+/t12-,13+/m1/s1
InChIKey BHLMJNJAXKSPSJ-BEFZUUHMSA-N
Molecular Weight 240.343 g/mol
SMILES OCC[C@]1(\C(=C\OC)[C@@](CCC(=O)C)(CCC1)[H])[H]
SPLASH splash10-0006-9700000000-58cbac5ad6907a31fc53
Source of Spectrum E1-35-2463-7
Wiley ID 1574366