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N-[3-(4-chlorophenyl)prop-2-ynyl]-4-methyl-N-[(E)-4-oxobut-2-enyl]benzenesulfonamide
SpectraBase Compound ID KICcer3Neog
InChI InChI=1S/C20H18ClNO3S/c1-17-6-12-20(13-7-17)26(24,25)22(14-2-3-16-23)15-4-5-18-8-10-19(21)11-9-18/h2-3,6-13,16H,14-15H2,1H3/b3-2+
InChIKey YEZCDVOOKHVVNJ-NSCUHMNNSA-N
Mol Weight 387.88 g/mol
Molecular Formula C20H18ClNO3S
Exact Mass 387.069592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH2xXA84PQl
Name N-[3-(4-chlorophenyl)prop-2-ynyl]-4-methyl-N-[(E)-4-oxobut-2-enyl]benzenesulfonamide
Appearance White solid
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Exact Mass 387.069592315 u
Formula C20H18ClNO3S
InChI InChI=1S/C20H18ClNO3S/c1-17-6-12-20(13-7-17)26(24,25)22(14-2-3-16-23)15-4-5-18-8-10-19(21)11-9-18/h2-3,6-13,16H,14-15H2,1H3/b3-2+
InChIKey YEZCDVOOKHVVNJ-NSCUHMNNSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601599
Molecular Weight 387.881 g/mol
Quality 4
Reported Formula C20H18NO3SCl
SMILES C=1C=C(C#CCN(S(C2=CC=C(C=C2)C)(=O)=O)C\C=C\C=O)C=CC1Cl
SPLASH splash10-0002-0900000000-595b491ccd1c37011ab7
Source of Spectrum QE-22-SM22-1l (DOI: 10.1002/chem.201601599)
Wiley ID 1904892