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2-Chloroethyl 1,2-diphenyl-1H-indole-3-sulfonate
SpectraBase Compound ID KzdV5V1yqMn
InChI InChI=1S/C22H18ClNO3S/c23-15-16-27-28(25,26)22-19-13-7-8-14-20(19)24(18-11-5-2-6-12-18)21(22)17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKey DLMMMWYGIKKHGL-UHFFFAOYSA-N
Mol Weight 411.9 g/mol
Molecular Formula C22H18ClNO3S
Exact Mass 411.069592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YY2Y49IiMr
Name 2-Chloroethyl 1,2-diphenyl-1H-indole-3-sulfonate
Appearance White solid
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Exact Mass 411.069592315 u
Formula C22H18ClNO3S
InChI InChI=1S/C22H18ClNO3S/c23-15-16-27-28(25,26)22-19-13-7-8-14-20(19)24(18-11-5-2-6-12-18)21(22)17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKey DLMMMWYGIKKHGL-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 411.903 g/mol
Reported Formula C22H18ClNO3S
SMILES C1(S(OCCCl)(=O)=O)=C(N(C2=C1C=CC=C2)C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-02t9-0090400000-4c9a7be5a9c0baefa7bd
Source of Spectrum ACI-56-SM21-2j (DOI: 10.1002/anie.201612565)
Wiley ID 1895527