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5-(2-naphthalenylthio)-5-oxopentanoic acid ethyl ester
SpectraBase Compound ID 8h9YoT8fz8V
InChI InChI=1S/C17H18O3S/c1-2-20-16(18)8-5-9-17(19)21-15-11-10-13-6-3-4-7-14(13)12-15/h3-4,6-7,10-12H,2,5,8-9H2,1H3
InChIKey JXAWXWJSWCKTNN-UHFFFAOYSA-N
Mol Weight 302.39 g/mol
Molecular Formula C17H18O3S
Exact Mass 302.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lTYCtS0bFf
Name 5-(2-naphthalenylthio)-5-oxopentanoic acid ethyl ester
Alternate Name(s) 5-keto-5-(2-naphthylthio)valeric acid ethyl ester Ethyl 5-(2-naphthylsulfanyl)-5-oxo-pentanoate Ethyl 5-naphthalen-2-ylsulfanyl-5-oxidanylidene-pentanoate Ethyl 5-naphthalen-2-ylsulfanyl-5-oxopentanoate
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Formula C17H18O3S
InChI InChI=1S/C17H18O3S/c1-2-20-16(18)8-5-9-17(19)21-15-11-10-13-6-3-4-7-14(13)12-15/h3-4,6-7,10-12H,2,5,8-9H2,1H3
InChIKey JXAWXWJSWCKTNN-UHFFFAOYSA-N
Molecular Weight 302.388 g/mol
SMILES C(Sc1cc2ccccc2cc1)(=O)CCCC(=O)OCC
SPLASH splash10-00ko-8900000000-bdae57a83c522a2e841d
Source of Spectrum J-59-2611-5
Wiley ID 1304632