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3-(4-pyridyl)-2H-benz[g]indazole, methanesulfonate(1:1)

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(4-pyridyl)-2H-benz[g]indazole, methanesulfonate(1:1)
SpectraBase Compound ID DgudJD8zzvu
InChI InChI=1S/C16H11N3.CH4O3S/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12;1-5(2,3)4/h1-10H,(H,18,19);1H3,(H,2,3,4)
InChIKey CWCBYWIKXXLYLS-UHFFFAOYSA-N
Mol Weight 341.38 g/mol
Molecular Formula C17H15N3O3S
Exact Mass 341.083413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kt4DZf8i4qC
Name 3-(4-PYRIDYL)-2H-BENZ[g]INDAZOLE, METHANESULFONATE (1:1)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3ú1CH4O3S
InChI InChI=1S/C16H11N3.CH4O3S/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12;1-5(2,3)4/h1-10H,(H,18,19);1H3,(H,2,3,4)
InChIKey CWCBYWIKXXLYLS-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 341.39
Solvent DMSO-d6; Reference=TMS; Temperature 297K