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(S)-(-)-n-Butyl 3-[(4-chlorophenyl)sulfinyl]propanoate
SpectraBase Compound ID Dl5ibH2vxBv
InChI InChI=1S/C13H17ClO3S/c1-2-3-9-17-13(15)8-10-18(16)12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKey BMGYMZUIGMMBFR-UHFFFAOYSA-N
Mol Weight 288.79 g/mol
Molecular Formula C13H17ClO3S
Exact Mass 288.058693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSf9rY6c7jO
Name (S)-(-)-n-Butyl 3-[(4-chlorophenyl)sulfinyl]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H17ClO3S
InChI InChI=1S/C13H17ClO3S/c1-2-3-9-17-13(15)8-10-18(16)12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKey BMGYMZUIGMMBFR-UHFFFAOYSA-N
Molecular Weight 288.789 g/mol
SMILES c1(S(CCC(=O)OCCCC)=O)ccc(cc1)Cl
SPLASH splash10-004i-9000000000-cc92ad150d46e26ecfeb
Source of Spectrum J-57-1295-0
Synonyms (S)-(-)-n-butyl 3-[(4-chlorophentyl)sulfinyl]propanoate butyl 3-[(4-chlorophenyl)sulfinyl]propanoate
Wiley ID 1291396