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2,2-Dimethyl-6-(phenylthio)-5-propan-2-yloxy-3-heptanone
SpectraBase Compound ID 4E1u1OI7I6y
InChI InChI=1S/C18H28O2S/c1-13(2)20-16(12-17(19)18(4,5)6)14(3)21-15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3
InChIKey NZKHMZUALGNJQO-UHFFFAOYSA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gf2ytJzIc1r
Name 2,2-Dimethyl-6-(phenylthio)-5-propan-2-yloxy-3-heptanone
Alternate Name(s) 2,2-Dimethyl-6-phenylsulfanyl-5-propan-2-yloxy-heptan-3-one 5-isopropoxy-2,2-dimethyl-6-(phenylthio)heptan-3-one 5-isopropoxy-2,2-dimethyl-6-phenylsulfanyl-heptan-3-one
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Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-13(2)20-16(12-17(19)18(4,5)6)14(3)21-15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3
InChIKey NZKHMZUALGNJQO-UHFFFAOYSA-N
Molecular Weight 308.480 g/mol
SMILES C(C(C(C)(C)C)=O)C(C(Sc1ccccc1)C)OC(C)C
SPLASH splash10-0a4r-9200000000-1975464e033cc96eea3b
Source of Spectrum J-58-586-3
Wiley ID 1309901