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2-[(3,5-Dimethylphenyl)sulfinyl]-N-methyl-N-phenylaniline
SpectraBase Compound ID CQmGZ8cscNh
InChI InChI=1S/C21H21NOS/c1-16-13-17(2)15-19(14-16)24(23)21-12-8-7-11-20(21)22(3)18-9-5-4-6-10-18/h4-15H,1-3H3
InChIKey KXQZOMUEEGRVGE-UHFFFAOYSA-N
Mol Weight 335.47 g/mol
Molecular Formula C21H21NOS
Exact Mass 335.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xr0wD52zGP
Name 2-[(3,5-Dimethylphenyl)sulfinyl]-N-methyl-N-phenylaniline
Appearance Light yellow oil
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Exact Mass 335.134385473 u
Formula C21H21NOS
InChI InChI=1S/C21H21NOS/c1-16-13-17(2)15-19(14-16)24(23)21-12-8-7-11-20(21)22(3)18-9-5-4-6-10-18/h4-15H,1-3H3
InChIKey KXQZOMUEEGRVGE-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.3c00012
Molecular Weight 335.465 g/mol
Quality 114
Reported Formula C21H21ONS
SMILES C1=CC(=C(C=C1)S(=O)C1=CC(=CC(=C1)C)C)N(C1=CC=CC=C1)C
SPLASH splash10-014r-0109000000-8d5b1d705dc3bc9ffb56
Source of Spectrum JOC-88-SM13-3ka (DOI: 10.1021/acs.joc.3c00012)
Wiley ID 1912694