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2-Chloroethyl 1-(4-chlorophenyl)-1H-indole-3-sulfonate
SpectraBase Compound ID H2j8ozmkh4i
InChI InChI=1S/C16H13Cl2NO3S/c17-9-10-22-23(20,21)16-11-19(13-7-5-12(18)6-8-13)15-4-2-1-3-14(15)16/h1-8,11H,9-10H2
InChIKey ZHBOTKFKGYCNJI-UHFFFAOYSA-N
Mol Weight 370.25 g/mol
Molecular Formula C16H13Cl2NO3S
Exact Mass 368.99932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6QvSkL4yzP
Name 2-Chloroethyl 1-(4-chlorophenyl)-1H-indole-3-sulfonate
Appearance Yellow solid
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Exact Mass 368.999319854 u
Formula C16H13Cl2NO3S
InChI InChI=1S/C16H13Cl2NO3S/c17-9-10-22-23(20,21)16-11-19(13-7-5-12(18)6-8-13)15-4-2-1-3-14(15)16/h1-8,11H,9-10H2
InChIKey ZHBOTKFKGYCNJI-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 370.250 g/mol
Reported Formula C16H13Cl2NO3S
SMILES C1(S(OCCCl)(=O)=O)=CN(C2=C1C=CC=C2)C1=CC=C(C=C1)Cl
SPLASH splash10-00vi-0098000000-48b07848b142d5e4766d
Source of Spectrum ACI-56-SM18-2d (DOI: 10.1002/anie.201612565)
Wiley ID 1895523