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Methyl R-(+)-2-Formyl-2-(phenylthio)dodecanoate
SpectraBase Compound ID L6wWluWs28T
InChI InChI=1S/C20H30O3S/c1-3-4-5-6-7-8-9-13-16-20(17-21,19(22)23-2)24-18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3/t20-/m1/s1
InChIKey SIFKUXUEPIIUIC-HXUWFJFHSA-N
Mol Weight 350.52 g/mol
Molecular Formula C20H30O3S
Exact Mass 350.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1inOCO0xcau
Name (R)-(+)-Methyl-2-Formyl-2-(phenylthio)dodecanoate
Alternate Name(s) Methyl (R)-2-formyl-2-(phenylthio)dodecanoate
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Formula C20H30O3S
InChI InChI=1S/C20H30O3S/c1-3-4-5-6-7-8-9-13-16-20(17-21,19(22)23-2)24-18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3/t20-/m1/s1
InChIKey SIFKUXUEPIIUIC-HXUWFJFHSA-N
Literature Reference DOI 10.1002/cber.19941270922
Molecular Weight 350.517 g/mol
SMILES C([C@](CCCCCCCCCC)(C(=O)OC)Sc1ccccc1)=O
SPLASH splash10-0596-9625000000-37601a714e91651ea10d
Source of Spectrum K-127-1716-12f
Wiley ID 1792407