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1-(Benzylthio)-4-(trimethylacetoxy)but-1-ene
SpectraBase Compound ID Bstok9kTWbp
InChI InChI=1S/C16H22O2S/c1-16(2,3)15(17)18-11-7-8-12-19-13-14-9-5-4-6-10-14/h4-6,8-10,12H,7,11,13H2,1-3H3/b12-8+
InChIKey JQICZKNTPBVKHP-XYOKQWHBSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TlY41jqfQ
Name 1-(Benzylthio)-4-(trimethylacetoxy)but-1-ene
Alternate Name(s) (3E)-4-(benzylsulfanyl)-3-butenyl pivalate
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Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-16(2,3)15(17)18-11-7-8-12-19-13-14-9-5-4-6-10-14/h4-6,8-10,12H,7,11,13H2,1-3H3/b12-8+
InChIKey JQICZKNTPBVKHP-XYOKQWHBSA-N
Molecular Weight 278.410 g/mol
SMILES C(\C=C\SCc1ccccc1)COC(=O)C(C)(C)C
SPLASH splash10-052x-9100000000-71feca7afafd8041706e
Source of Spectrum F-54-8213-7
Wiley ID 807808