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N-(benzyloxy)-2-((4-fluorobenzyl)thio)-2-methylpropanamide
SpectraBase Compound ID FrLzGlO0J9i
InChI InChI=1S/C18H20FNO2S/c1-18(2,23-13-15-8-10-16(19)11-9-15)17(21)20-22-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKey YVCCZQKZKUDGPT-UHFFFAOYSA-N
Mol Weight 333.42 g/mol
Molecular Formula C18H20FNO2S
Exact Mass 333.119878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KgmeeYLdq0
Name N-(benzyloxy)-2-((4-fluorobenzyl)thio)-2-methylpropanamide
Appearance White solid
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Exact Mass 333.119878223 u
Formula C18H20FNO2S
InChI InChI=1S/C18H20FNO2S/c1-18(2,23-13-15-8-10-16(19)11-9-15)17(21)20-22-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKey YVCCZQKZKUDGPT-UHFFFAOYSA-N
Instrument Name Water Q-ToF-Micro Micromass
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02274
Molecular Weight 333.421 g/mol
Quality 12
Reported Formula C18H20FNO2S
SMILES N(C(C(SCC1=CC=C(C=C1)F)(C)C)=O)OCC1=CC=CC=C1
SPLASH splash10-004i-9000000000-82b6ac3938d6f333063a
Source of Spectrum JOC-88-SM12-5c (DOI: 10.1021/acs.joc.2c02274)
Thin-Layer Chromatography 0.5 (EtOAc/hexanes, 30:70)
Wiley ID 1912624