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4-(3-Chlorophenyl)heptan-2-one
SpectraBase Compound ID 8NaMKFySyib
InChI InChI=1S/C13H17ClO/c1-3-5-11(8-10(2)15)12-6-4-7-13(14)9-12/h4,6-7,9,11H,3,5,8H2,1-2H3/t11-/m1/s1
InChIKey XPLYYBKMYIXAIW-LLVKDONJSA-N
Mol Weight 224.73 g/mol
Molecular Formula C13H17ClO
Exact Mass 224.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPnY7O9jzXv
Name 4-(3-Chlorophenyl)heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClO
InChI InChI=1S/C13H17ClO/c1-3-5-11(8-10(2)15)12-6-4-7-13(14)9-12/h4,6-7,9,11H,3,5,8H2,1-2H3/t11-/m1/s1
InChIKey XPLYYBKMYIXAIW-LLVKDONJSA-N
Literature Reference DOI 10.1021/ol801665z
Molecular Weight 224.731 g/mol
SMILES c1cc(cc(c1)[C@@](CC(C)=O)(CCC)[H])Cl
SPLASH splash10-0006-9700000000-c34cf3b8b081163dd7ed
Source of Spectrum A1-10-4101/SMS21-9df
Synonyms (R)-4-(3-chlorophenyl)heptan-2-one
Wiley ID 1759840