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Methyl 3-(hexylthio)hydrocinnamate

View entire compound with spectra: 1 MS (GC)

Methyl 3-(hexylthio)hydrocinnamate
SpectraBase Compound ID KlJJ13Zbqv0
InChI InChI=1S/C16H24O2S/c1-3-4-5-6-12-19-15-9-7-8-14(13-15)10-11-16(17)18-2/h7-9,13H,3-6,10-12H2,1-2H3
InChIKey RORCWORNSQNIJX-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BCKPeRzN05
Name Methyl 3-(hexylthio)hydrocinnamate
Alternate Name(s) Methyl 3-[3-(hexylsulfanyl)phenyl]propanoate
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Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-3-4-5-6-12-19-15-9-7-8-14(13-15)10-11-16(17)18-2/h7-9,13H,3-6,10-12H2,1-2H3
InChIKey RORCWORNSQNIJX-UHFFFAOYSA-N
Molecular Weight 280.426 g/mol
SMILES C(=O)(CCc1cc(SCCCCCC)ccc1)OC
SPLASH splash10-00di-3900000000-7564b98bc2e24b23b1a1
Source of Spectrum SK-26-2194-0
Wiley ID 867184