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Methyl R-(+)-2-Formyl-2-(phenylthio) pentanoate
SpectraBase Compound ID 5AAl821OoIt
InChI InChI=1S/C13H16O3S/c1-3-9-13(10-14,12(15)16-2)17-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t13-/m1/s1
InChIKey QRMXGXHFFYUWHP-CYBMUJFWSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ivZzZxjFMq
Name Methyl R-(+)-2-Formyl-2-(phenylthio) pentanoate
Alternate Name(s) Methyl (2R)-2-formyl-2-(phenylsulfanyl)pentanoate
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Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-3-9-13(10-14,12(15)16-2)17-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t13-/m1/s1
InChIKey QRMXGXHFFYUWHP-CYBMUJFWSA-N
Molecular Weight 252.328 g/mol
SMILES [C@](C(=O)OC)(Sc1ccccc1)(C=O)CCC
SPLASH splash10-0c03-0940000000-eccba8839d4bae2aabcf
Source of Spectrum K-127-1716-12
Wiley ID 1255324