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N-Methyl-N-(p-tolyl)-2-(p-tolylsulfinyl)aniline
SpectraBase Compound ID 3ZwKft7klIQ
InChI InChI=1S/C21H21NOS/c1-16-8-12-18(13-9-16)22(3)20-6-4-5-7-21(20)24(23)19-14-10-17(2)11-15-19/h4-15H,1-3H3
InChIKey NTPMPRSFGIDBAW-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 9Ic6C3tu806
Name N-Methyl-N-(p-tolyl)-2-(p-tolylsulfinyl)aniline
Appearance Light yellow oil
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Exact Mass 335.134385473 u
Formula C21H21NOS
InChI InChI=1S/C21H21NOS/c1-16-8-12-18(13-9-16)22(3)20-6-4-5-7-21(20)24(23)19-14-10-17(2)11-15-19/h4-15H,1-3H3
InChIKey NTPMPRSFGIDBAW-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
Reported Formula C21H21ONS
SMILES C1=CC(=C(C=C1)S(=O)C1=CC=C(C=C1)C)N(C1=CC=C(C=C1)C)C
SPLASH splash10-014r-0109000000-2422af19fffab79baa79
Source of Spectrum JOC-88-SM9-3ba (DOI: 10.1021/acs.joc.3c00012)
Wiley ID 1912686