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Methyl R-(+)-2-Formyl-2-(phenylthio)octanoate
SpectraBase Compound ID 7YfiLSzJqRW
InChI InChI=1S/C16H22O3S/c1-3-4-5-9-12-16(13-17,15(18)19-2)20-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3/t16-/m1/s1
InChIKey VTUHXNGELHDHLZ-MRXNPFEDSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jixvlli7YnB
Name Methyl R-(+)-2-Formyl-2-(phenylthio)octanoate
Alternate Name(s) Methyl (2R)-2-formyl-2-(phenylsulfanyl)octanoate
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Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-3-4-5-9-12-16(13-17,15(18)19-2)20-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3/t16-/m1/s1
InChIKey VTUHXNGELHDHLZ-MRXNPFEDSA-N
Molecular Weight 294.409 g/mol
SMILES [C@](C(=O)OC)(Sc1ccccc1)(C=O)CCCCCC
SPLASH splash10-0a4l-6690000000-ef55cf2242c3af4a46a1
Source of Spectrum K-127-1716-12
Wiley ID 1297106