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5-Methyl-1-(methylsulfonyl)-2-(1-phenyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 8mYVCRScmL4
InChI InChI=1S/C17H15N5O2S/c1-12-8-13-9-16(22(25(2,23)24)17(13)18-10-12)15-11-21(20-19-15)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey VSVMMUIIKWDNBE-UHFFFAOYSA-N
Mol Weight 353.4 g/mol
Molecular Formula C17H15N5O2S
Exact Mass 353.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXOalZPX1ln
Name 5-Methyl-1-(methylsulfonyl)-2-(1-phenyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N5O2S
InChI InChI=1S/C17H15N5O2S/c1-12-8-13-9-16(22(25(2,23)24)17(13)18-10-12)15-11-21(20-19-15)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKey VSVMMUIIKWDNBE-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 353.400 g/mol
Quality 482
SMILES C1(=CC2=C(N=C1)N(C(=C2)C=1N=NN(C1)C1=CC=CC=C1)S(C)(=O)=O)C
SPLASH splash10-004j-3591000000-131c090c43c42a6a54c4
Source of Spectrum QE-24-SM11-1e (DOI: 10.1002/chem.201801632)
Wiley ID 1901573