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2-methyl-N-(naphthalen-1-yl(phenyl)methyl)propane-2-sulfinamide
SpectraBase Compound ID 7q6XuvjGhVv
InChI InChI=1S/C21H23NOS/c1-21(2,3)24(23)22-20(17-11-5-4-6-12-17)19-15-9-13-16-10-7-8-14-18(16)19/h4-15,20,22H,1-3H3
InChIKey AIUWGYPKFMWJJH-UHFFFAOYSA-N
Mol Weight 337.48 g/mol
Molecular Formula C21H23NOS
Exact Mass 337.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHmBZxDoiWJ
Name 2-methyl-N-(naphthalen-1-yl(phenyl)methyl)propane-2-sulfinamide
Appearance White glue
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Formula C21H23NOS
InChI InChI=1S/C21H23NOS/c1-21(2,3)24(23)22-20(17-11-5-4-6-12-17)19-15-9-13-16-10-7-8-14-18(16)19/h4-15,20,22H,1-3H3
InChIKey AIUWGYPKFMWJJH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814373
Molecular Weight 337.481 g/mol
Reported Formula C21H23NOS
SMILES N(C(c1ccccc1)c1c2c(ccc1)cccc2)S(C(C)(C)C)=O
SPLASH splash10-014i-1090000000-a238c611728188b4a4f9
Sample Comments dr = 7:3
Source of Spectrum ACI-58-SM27-10k, 1st diasteromer
Thin-Layer Chromatography Rf = 0.12 (SiO2, i-hexane/EtOAc, 75:25)
Wiley ID 1843158