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2-Chloroethyl 1-(3-methylpyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonate
SpectraBase Compound ID 8cpbNXur8zt
InChI InChI=1S/C15H14ClN3O3S/c1-11-4-2-7-17-14(11)19-10-13(23(20,21)22-9-6-16)12-5-3-8-18-15(12)19/h2-5,7-8,10H,6,9H2,1H3
InChIKey PSBKSXDODZNOLC-UHFFFAOYSA-N
Mol Weight 351.81 g/mol
Molecular Formula C15H14ClN3O3S
Exact Mass 351.04444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mo1RciEa7O
Name 2-Chloroethyl 1-(3-methylpyridin-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonate
Appearance Brown oil
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Exact Mass 351.044440194 u
Formula C15H14ClN3O3S
InChI InChI=1S/C15H14ClN3O3S/c1-11-4-2-7-17-14(11)19-10-13(23(20,21)22-9-6-16)12-5-3-8-18-15(12)19/h2-5,7-8,10H,6,9H2,1H3
InChIKey PSBKSXDODZNOLC-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 351.808 g/mol
Quality 204
Reported Formula C16H14ClN2O3S
SMILES C1(S(OCCCl)(=O)=O)=CN(C2=C1C=CC=N2)C1=C(C=CC=N1)C
SPLASH splash10-0a4i-2093000000-6c3fa7a3449bcc529c24
Source of Spectrum ACI-56-SM25-2w (DOI: 10.1002/anie.201612565)
Wiley ID 1895537