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Methyl R-(+)-2-Formyl-2-(phenylthio)tridecanoate
SpectraBase Compound ID 9qf3Pcl9Rsz
InChI InChI=1S/C21H32O3S/c1-3-4-5-6-7-8-9-10-14-17-21(18-22,20(23)24-2)25-19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3/t21-/m1/s1
InChIKey DUUSRSRDUDWSNS-OAQYLSRUSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O3S
Exact Mass 364.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQYC9Bmwuoz
Name Methyl R-(+)-2-Formyl-2-(phenylthio)tridecanoate
Alternate Name(s) Methyl (2R)-2-formyl-2-(phenylsulfanyl)tridecanoate
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Formula C21H32O3S
InChI InChI=1S/C21H32O3S/c1-3-4-5-6-7-8-9-10-14-17-21(18-22,20(23)24-2)25-19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3/t21-/m1/s1
InChIKey DUUSRSRDUDWSNS-OAQYLSRUSA-N
Molecular Weight 364.544 g/mol
SMILES [C@](C(=O)OC)(Sc1ccccc1)(C=O)CCCCCCCCCCC
SPLASH splash10-06rf-9405000000-ad253a3c6eee3737f83a
Source of Spectrum K-127-1716-12
Wiley ID 1350880