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(methylthio)methanethioic acid O-(1-ethyl-3-phenyl-propyl) ester
SpectraBase Compound ID FABAePhRw3Z
InChI InChI=1S/C13H18OS2/c1-3-12(14-13(15)16-2)10-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKey YADNVVSSHJBBOE-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C13H18OS2
Exact Mass 254.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eeV8gaJ6xg
Name (methylthio)methanethioic acid O-(1-ethyl-3-phenyl-propyl) ester
Alternate Name(s) (methylthio)methanethioic acid O-(1-phenylpentan-3-yl) ester O-(1-ethyl-3-phenyl-propyl) methylsulfanylmethanethioate O-(1-phenylpentan-3-yl) methylsulfanylmethanethioate
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Formula C13H18OS2
InChI InChI=1S/C13H18OS2/c1-3-12(14-13(15)16-2)10-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKey YADNVVSSHJBBOE-UHFFFAOYSA-N
Molecular Weight 254.406 g/mol
SMILES C(=S)(OC(CCc1ccccc1)CC)SC
SPLASH splash10-0006-9400000000-fa726343e2f82f5e9b24
Source of Spectrum AJ-73-477-2
Wiley ID 775300