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4-[4-Methyl-N-(pyridin-3-yl)phenylsulfonimidoyl]morpholine
SpectraBase Compound ID 89K95aFYbeX
InChI InChI=1S/C16H19N3O2S/c1-14-4-6-16(7-5-14)22(20,19-9-11-21-12-10-19)18-15-3-2-8-17-13-15/h2-8,13H,9-12H2,1H3
InChIKey BWPFSNGMXUSXSR-UHFFFAOYSA-N
Mol Weight 317.41 g/mol
Molecular Formula C16H19N3O2S
Exact Mass 317.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWnclz0Zpjs
Name 4-[4-Methyl-N-(pyridin-3-yl)phenylsulfonimidoyl]morpholine
Appearance Yellow solid
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Exact Mass 317.119798036 u
Formula C16H19N3O2S
InChI InChI=1S/C16H19N3O2S/c1-14-4-6-16(7-5-14)22(20,19-9-11-21-12-10-19)18-15-3-2-8-17-13-15/h2-8,13H,9-12H2,1H3
InChIKey BWPFSNGMXUSXSR-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810548
Molecular Weight 317.407 g/mol
Quality 83
Reported Formula C16H19N3O2S
SMILES C1(S(N2CCOCC2)(=NC2=CN=CC=C2)=O)=CC=C(C=C1)C
SPLASH splash10-0159-1829000000-21ff80056a7c37945ed6
Source of Spectrum ACI-57-SM15-8na (DOI: 10.1002/anie.201810548)
Thin-Layer Chromatography 0.32 (pentane/EtOAc, 2:1)
Wiley ID 1893617