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2-Chloroethyl 2-methyl-1-phenyl-1H-indole-3-sulfonate
SpectraBase Compound ID 2KpPW0f2dcM
InChI InChI=1S/C17H16ClNO3S/c1-13-17(23(20,21)22-12-11-18)15-9-5-6-10-16(15)19(13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey BORWMXBDBHEAHK-UHFFFAOYSA-N
Mol Weight 349.83 g/mol
Molecular Formula C17H16ClNO3S
Exact Mass 349.053942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrFXTqtse2n
Name 2-Chloroethyl 2-methyl-1-phenyl-1H-indole-3-sulfonate
Appearance White solid
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Exact Mass 349.053942250 u
Formula C17H16ClNO3S
InChI InChI=1S/C17H16ClNO3S/c1-13-17(23(20,21)22-12-11-18)15-9-5-6-10-16(15)19(13)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey BORWMXBDBHEAHK-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 349.832 g/mol
Reported Formula C17H16ClNO3S
SMILES C1(S(OCCCl)(=O)=O)=C(N(C2=C1C=CC=C2)C1=CC=CC=C1)C
SPLASH splash10-0pb9-0092000000-95e59beaa4ff53c8e3b2
Source of Spectrum ACI-56-SM20-2i (DOI: 10.1002/anie.201612565)
Wiley ID 1895526