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5-Bromo-2-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 5YZysiOI799
InChI InChI=1S/C17H13BrClN5O2S/c1-27(25,26)24-16(7-12-6-13(18)8-20-17(12)24)15-10-23(22-21-15)9-11-2-4-14(19)5-3-11/h2-8,10H,9H2,1H3
InChIKey WCETUHZSMWUEKN-UHFFFAOYSA-N
Mol Weight 466.74 g/mol
Molecular Formula C17H13BrClN5O2S
Exact Mass 464.966187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KZVA5MBKHx
Name 5-Bromo-2-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1-(methylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.966186551 u
Formula C17H13BrClN5O2S
InChI InChI=1S/C17H13BrClN5O2S/c1-27(25,26)24-16(7-12-6-13(18)8-20-17(12)24)15-10-23(22-21-15)9-11-2-4-14(19)5-3-11/h2-8,10H,9H2,1H3
InChIKey WCETUHZSMWUEKN-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801632
Molecular Weight 466.741 g/mol
Quality 745
SMILES C1(=CC2=C(N=C1)N(C(=C2)C=1N=NN(C1)CC1=CC=C(C=C1)Cl)S(C)(=O)=O)Br
SPLASH splash10-004i-4986100000-08caa8b854eb7d2c83b9
Source of Spectrum QE-24-SM10-1c (DOI: 10.1002/chem.201801632)
Wiley ID 1901571