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Ethyl 5-phenyl-2-(pyrid-2'-sulfinyl)pentanoate
SpectraBase Compound ID wpRpnel3Qk
InChI InChI=1S/C18H21NO3S/c1-2-22-18(20)16(23(21)17-13-6-7-14-19-17)12-8-11-15-9-4-3-5-10-15/h3-7,9-10,13-14,16H,2,8,11-12H2,1H3
InChIKey XQLPOERHIMJVAB-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lfgzuUtc5U
Name Ethyl 5-phenyl-2-(pyrid-2'-sulfinyl)pentanoate
Alternate Name(s) Ethyl 5-phenyl-2-(2-pyridinylsulfinyl)pentanoate
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Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-2-22-18(20)16(23(21)17-13-6-7-14-19-17)12-8-11-15-9-4-3-5-10-15/h3-7,9-10,13-14,16H,2,8,11-12H2,1H3
InChIKey XQLPOERHIMJVAB-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES C(S(c1ncccc1)=O)(C(=O)OCC)CCCc1ccccc1
SPLASH splash10-002f-9100000000-1a7f3fe45d1db8322d32
Source of Spectrum F-51-1881-11
Wiley ID 790861