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2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-5-chloro-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID FHXsoFO4EMr
InChI InChI=1S/C17H14ClN5O2S/c1-26(24,25)23-16(8-13-7-14(18)9-19-17(13)23)15-11-22(21-20-15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKey GNXFMZSMBMBPOF-UHFFFAOYSA-N
Mol Weight 387.85 g/mol
Molecular Formula C17H14ClN5O2S
Exact Mass 387.055674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ieo1rsvqMTQ
Name 2-(1-Benzyl-1H-1,2,3-triazol-4-yl)-5-chloro-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.055673583 u
Formula C17H14ClN5O2S
InChI InChI=1S/C17H14ClN5O2S/c1-26(24,25)23-16(8-13-7-14(18)9-19-17(13)23)15-11-22(21-20-15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKey GNXFMZSMBMBPOF-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 387.845 g/mol
Quality 429
SMILES C1(=CC=CC=C1)CN1N=NC(=C1)C1=CC=2C(=NC=C(C2)Cl)N1S(C)(=O)=O
SPLASH splash10-0036-7891000000-55294366a27154dc4813
Source of Spectrum QE-24-SM8-1a (DOI: 10.1002/chem.201801632)
Wiley ID 1901570