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4-(4-Chlorophenylmethylene)-3-ethyl-3,6-hexanediol
SpectraBase Compound ID Hfd01HP1Jfm
InChI InChI=1S/C15H21ClO2/c1-3-15(18,4-2)13(9-10-17)11-12-5-7-14(16)8-6-12/h5-8,11,17-18H,3-4,9-10H2,1-2H3/b13-11+
InChIKey BQFBOQSZZCOMRX-ACCUITESSA-N
Mol Weight 268.78 g/mol
Molecular Formula C15H21ClO2
Exact Mass 268.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5K5RLUPXso
Name 4-(4-Chlorophenylmethylene)-3-ethyl-3,6-hexanediol
Comments Less than 3 mono-isotopic peaks
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Formula C15H21ClO2
InChI InChI=1S/C15H21ClO2/c1-3-15(18,4-2)13(9-10-17)11-12-5-7-14(16)8-6-12/h5-8,11,17-18H,3-4,9-10H2,1-2H3/b13-11+
InChIKey BQFBOQSZZCOMRX-ACCUITESSA-N
Molecular Weight 268.784 g/mol
SMILES OC(\C(CCO)=C/c1ccc(Cl)cc1)(CC)CC
SPLASH splash10-0a4i-9000000000-533177591da190d9dfd4
Source of Spectrum SO-0-957-7
Synonyms (3E)-3-(4-chlorobenzylidene)-4-ethyl-1,4-hexanediol 3-(4-Chlorophenylmethylene)-2-ethyl-3,6-hexanediol
Wiley ID 1541689