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N-[1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
SpectraBase Compound ID 8ZAEzylZW2Z
InChI InChI=1S/C23H21NO2S/c1-26-21-16-14-20(15-17-21)23(18-13-19-9-5-3-6-10-19)24-27(2,25)22-11-7-4-8-12-22/h3-12,14-17,23H,1-2H3
InChIKey GKBUEWCTEAJPGW-UHFFFAOYSA-N
Mol Weight 375.49 g/mol
Molecular Formula C23H21NO2S
Exact Mass 375.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5v1hGiGwUdo
Name N-[1-(4-Methoxyphenyl)-3-phenylprop-2-yn-1-yl]-S,S-methylphenylsulfoximine
Appearance Colorless viscous oil
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Exact Mass 375.129300092 u
Formula C23H21NO2S
InChI InChI=1S/C23H21NO2S/c1-26-21-16-14-20(15-17-21)23(18-13-19-9-5-3-6-10-19)24-27(2,25)22-11-7-4-8-12-22/h3-12,14-17,23H,1-2H3
InChIKey GKBUEWCTEAJPGW-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 375.486 g/mol
Quality 139
Reported Formula C23H21NO2S
SMILES C1(C(C#CC=2C=CC=CC2)N=S(C2=CC=CC=C2)(C)=O)=CC=C(OC)C=C1
SPLASH splash10-000i-1390000000-5fb806104c36c72fb9e8
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM12-5a (DOI: 10.1002/anie.201801660)
Wiley ID 1890906