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(E)-N-(3-Phenylprop-2-yn-1-yl)-S-[2-(4-chlorophenyl)ethenyl]-S-phenyl sulfoximine
SpectraBase Compound ID AIb7NPOdU2b
InChI InChI=1S/C23H18ClNOS/c24-22-15-13-21(14-16-22)17-19-27(26,23-11-5-2-6-12-23)25-18-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-17,19H,18H2/b19-17+
InChIKey BRNPMVYQQRBBTH-HTXNQAPBSA-N
Mol Weight 391.92 g/mol
Molecular Formula C23H18ClNOS
Exact Mass 391.079763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iTYeJHOz8p
Name (E)-N-(3-Phenylprop-2-yn-1-yl)-S-[2-(4-chlorophenyl)ethenyl]-S-phenyl sulfoximine
Appearance Yellow oil
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Exact Mass 391.079763077 u
Formula C23H18ClNOS
InChI InChI=1S/C23H18ClNOS/c24-22-15-13-21(14-16-22)17-19-27(26,23-11-5-2-6-12-23)25-18-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-17,19H,18H2/b19-17+
InChIKey BRNPMVYQQRBBTH-HTXNQAPBSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Molecular Weight 391.916 g/mol
Quality 37
Reported Formula C23H18ClNOS
SMILES C1(S(=NCC#CC2=CC=CC=C2)(\C=C\C2=CC=C(C=C2)Cl)=O)=CC=CC=C1
SPLASH splash10-014r-0690000000-70bb9a3368fa718a7495
Source of Spectrum QE-23-SM4-4g (DOI: 10.1002/chem.201700953)
Wiley ID 1905752