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tert-Butyl 2-phenylthiopropanoate

View entire compound with spectra: 2 MS (GC)

tert-Butyl 2-phenylthiopropanoate
SpectraBase Compound ID EyHaLOmO9w4
InChI InChI=1S/C13H18O2S/c1-3-4-10-15-13(14)11(2)16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey NIOAIQCNONJNMW-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BRuhsRFiKH
Name tert-Butyl 2-phenylthiopropanoate
Alternate Name(s) Butyl 2-(phenylthio)propanoate Butyl 2-(phenylsulfanyl)propanoate Butyl 2-(phenylthio)-propanoate tert-Butyl 2-(phenylsulfanyl)propanoate
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Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-3-4-10-15-13(14)11(2)16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey NIOAIQCNONJNMW-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C(C(Sc1ccccc1)C)(=O)OCCCC
SPLASH splash10-000i-3920000000-6c300228586ebc5108f4
Source of Spectrum KD-16-2589-10
Wiley ID 1637899