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(S)-(-)-2-t-Butylthio-3-phenylpropanal
SpectraBase Compound ID 9eIZig9CMX9
InChI InChI=1S/C13H18OS/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1
InChIKey WTFPWBDCIGBFAD-LBPRGKRZSA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVHozZk3Gfg
Name (S)-(-)-2-t-Butylthio-3-phenylpropanal
Alternate Name(s) (2S)-2-(tert-butylsulfanyl)-3-phenylpropanal (2S)-2-(tert-butylthio)-3-phenylpropanal (2S)-2-tert-butylsulfanyl-3-phenylpropanal (2S)-2-tert-butylsulfanyl-3-phenyl-propanal
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Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1
InChIKey WTFPWBDCIGBFAD-LBPRGKRZSA-N
Molecular Weight 222.346 g/mol
SMILES C(S[C@](C=O)(Cc1ccccc1)[H])(C)(C)C
SPLASH splash10-000f-5910000000-0f4766d87eefac333c06
Source of Spectrum F-50-3359-6
Wiley ID 1222487