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2-[2-(4-fluoro-phenyl)ethynyl]-3-methylsulfanylphenyl N,N-diethylcarbamate
SpectraBase Compound ID Lq2e3GGCskb
InChI InChI=1S/C20H20FNO2S/c1-4-22(5-2)20(23)24-18-7-6-8-19(25-3)17(18)14-11-15-9-12-16(21)13-10-15/h6-10,12-13H,4-5H2,1-3H3
InChIKey PBCJNYMPXWIPBU-UHFFFAOYSA-N
Mol Weight 357.44 g/mol
Molecular Formula C20H20FNO2S
Exact Mass 357.119878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLiyYbH7rU
Name 2-[2-(4-fluoro-phenyl)ethynyl]-3-methylsulfanylphenyl N,N-diethylcarbamate
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Formula C20H20FNO2S
InChI InChI=1S/C20H20FNO2S/c1-4-22(5-2)20(23)24-18-7-6-8-19(25-3)17(18)14-11-15-9-12-16(21)13-10-15/h6-10,12-13H,4-5H2,1-3H3
InChIKey PBCJNYMPXWIPBU-UHFFFAOYSA-N
Instrument Name Agilent 6850-5975C
Ionization Type EI
Molecular Weight 357.443 g/mol
SMILES c1(F)ccc(cc1)C#Cc1c(cccc1SC)OC(N(CC)CC)=O
SPLASH splash10-0udi-4903000000-f495792001ded1b44596
Source of Spectrum FR3037959A1
Wiley ID 1852936