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4-Phenylsulfoxo-5-(2-furyl)-4-pentanoic acid ethyl ester
SpectraBase Compound ID X96ZxSpcKA
InChI InChI=1S/C17H18O4S/c1-2-20-17(18)11-10-16(13-14-7-6-12-21-14)22(19)15-8-4-3-5-9-15/h3-9,12-13H,2,10-11H2,1H3/b16-13-
InChIKey FOANTWGVFXGYSE-SSZFMOIBSA-N
Mol Weight 318.39 g/mol
Molecular Formula C17H18O4S
Exact Mass 318.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XLcCPWmIyJ
Name 4-Phenylsulfoxo-5-(2-furyl)-4-pentanoic acid ethyl ester
Alternate Name(s) Ethyl (4Z)-5-(2-furyl)-4-(phenylsulfinyl)-4-pentenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4S
InChI InChI=1S/C17H18O4S/c1-2-20-17(18)11-10-16(13-14-7-6-12-21-14)22(19)15-8-4-3-5-9-15/h3-9,12-13H,2,10-11H2,1H3/b16-13-
InChIKey FOANTWGVFXGYSE-SSZFMOIBSA-N
Molecular Weight 318.387 g/mol
SMILES c1(S(\C(=C/c2occc2)CCC(=O)OCC)=O)ccccc1
SPLASH splash10-054o-9800000000-6c5de485bafb4b7f9f65
Source of Spectrum AJ-61-3963-11
Wiley ID 1318368