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tert-Butyl 6-{4-Methoxy-3-methyl-5-[(methylsulfanyl)carbonyl]phenyl}hex-5-ynoate
SpectraBase Compound ID It2ESaqPa35
InChI InChI=1S/C20H26O4S/c1-14-12-15(13-16(18(14)23-5)19(22)25-6)10-8-7-9-11-17(21)24-20(2,3)4/h12-13H,7,9,11H2,1-6H3
InChIKey PQTXLUIIQUPILE-UHFFFAOYSA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2rIbPLpHfo
Name tert-Butyl 6-{4-Methoxy-3-methyl-5-[(methylsulfanyl)carbonyl]phenyl}hex-5-ynoate
Appearance Colorless oil
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Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-14-12-15(13-16(18(14)23-5)19(22)25-6)10-8-7-9-11-17(21)24-20(2,3)4/h12-13H,7,9,11H2,1-6H3
InChIKey PQTXLUIIQUPILE-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 362.484 g/mol
Reported Formula C20H26O4S
SMILES c1(C(=O)SC)cc(C#CCCCC(OC(C)(C)C)=O)cc(C)c1OC
SPLASH splash10-0a4i-0093000000-7b56aa7d412823483716
Source of Spectrum US20170267667A1
Wiley ID 1866097