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Methyl 6-(t-butylsulfanyl)-5-hydroxy-7-(2',4'-dichlorophenyl)-3-oxoheptanoate
SpectraBase Compound ID FLNxkTFzxQK
InChI InChI=1S/C18H24Cl2O4S/c1-18(2,3)25-16(7-11-5-6-12(19)8-14(11)20)15(22)9-13(21)10-17(23)24-4/h5-6,8,15-16,22H,7,9-10H2,1-4H3
InChIKey MDTJYDAELVCMBJ-UHFFFAOYSA-N
Mol Weight 407.35 g/mol
Molecular Formula C18H24Cl2O4S
Exact Mass 406.077236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCo8DmrneX8
Name Methyl 6-(t-butylsulfanyl)-5-hydroxy-7-(2',4'-dichlorophenyl)-3-oxoheptanoate
Alternate Name(s) Methyl 6-(tert-butylsulfanyl)-7-(2,4-dichlorophenyl)-5-hydroxy-3-oxoheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24Cl2O4S
InChI InChI=1S/C18H24Cl2O4S/c1-18(2,3)25-16(7-11-5-6-12(19)8-14(11)20)15(22)9-13(21)10-17(23)24-4/h5-6,8,15-16,22H,7,9-10H2,1-4H3
InChIKey MDTJYDAELVCMBJ-UHFFFAOYSA-N
Molecular Weight 407.352 g/mol
SMILES OC(CC(CC(=O)OC)=O)C(Cc1c(cc(cc1)Cl)Cl)SC(C)(C)C
SPLASH splash10-0abl-7900000000-5cd8f4912d64cb0f3bc0
Source of Spectrum G-68-995-10
Wiley ID 1520422