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4-(4-Chlorophenyl)heptan-2-one
SpectraBase Compound ID 8Sbbka3aeJU
InChI InChI=1S/C13H17ClO/c1-3-4-12(9-10(2)15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKey BBCNBDKSXQWLHJ-GFCCVEGCSA-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 3jJFCmoBNT2
Name 4-(4-Chlorophenyl)heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClO
InChI InChI=1S/C13H17ClO/c1-3-4-12(9-10(2)15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKey BBCNBDKSXQWLHJ-GFCCVEGCSA-N
Literature Reference DOI 10.1021/ol801665z
Molecular Weight 224.731 g/mol
SMILES c1c(ccc(c1)[C@@](CC(C)=O)(CCC)[H])Cl
SPLASH splash10-0006-9400000000-3defef4ecc44f7452514
Source of Spectrum A1-10-4101/SMS19-9dk
Synonyms (R)-4-(4-chlorophenyl)heptan-2-one
Wiley ID 1759841