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1-{3-[2-(3,4-Dichlorophenyl)-2-hydroxyethyl]phenyl}pentan-1-one
SpectraBase Compound ID KBhfdgHgH2y
InChI InChI=1S/C19H20Cl2O2/c1-2-3-7-18(22)14-6-4-5-13(10-14)11-19(23)15-8-9-16(20)17(21)12-15/h4-6,8-10,12,19,23H,2-3,7,11H2,1H3
InChIKey KTPYYSRBTCRXKE-UHFFFAOYSA-N
Mol Weight 351.27 g/mol
Molecular Formula C19H20Cl2O2
Exact Mass 350.084035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nv2Fmc42RY
Name 1-{3-[2-(3,4-Dichlorophenyl)-2-hydroxyethyl]phenyl}pentan-1-one
Alternate Name(s) 1-(3-(2-(3,4-dichlorophenyl)-2-hydroxyethyl)phenyl)pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20Cl2O2
InChI InChI=1S/C19H20Cl2O2/c1-2-3-7-18(22)14-6-4-5-13(10-14)11-19(23)15-8-9-16(20)17(21)12-15/h4-6,8-10,12,19,23H,2-3,7,11H2,1H3
InChIKey KTPYYSRBTCRXKE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7030697
Molecular Weight 351.273 g/mol
SMILES OC(Cc1cc(ccc1)C(CCCC)=O)c1ccc(c(c1)Cl)Cl
SPLASH splash10-004i-0900000000-05af9b277a970d8e7a92
Source of Spectrum A1-10-1107/SM19-4n
Wiley ID 1759179