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5-Chloro-1-(methylsulfonyl)-2-(1-phenyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 4hCxjHgFor9
InChI InChI=1S/C16H12ClN5O2S/c1-25(23,24)22-15(8-11-7-12(17)9-18-16(11)22)14-10-21(20-19-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey GVSIKTKAVRCOPK-UHFFFAOYSA-N
Mol Weight 373.82 g/mol
Molecular Formula C16H12ClN5O2S
Exact Mass 373.040024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhyIwCMCsUp
Name 5-Chloro-1-(methylsulfonyl)-2-(1-phenyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.040023518 u
Formula C16H12ClN5O2S
InChI InChI=1S/C16H12ClN5O2S/c1-25(23,24)22-15(8-11-7-12(17)9-18-16(11)22)14-10-21(20-19-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey GVSIKTKAVRCOPK-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 373.818 g/mol
Quality 457
SMILES C1(=CC2=C(N=C1)N(C(=C2)C=1N=NN(C1)C1=CC=CC=C1)S(C)(=O)=O)Cl
SPLASH splash10-014i-1290000000-2f4a494cb837d50afce2
Source of Spectrum QE-24-SM15-1k (DOI: 10.1002/chem.201801632)
Wiley ID 1901579