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3-{2-[(1H-Pyrazol-1-yl)methyl]phenyl}-8H-pyrazolo[5,1-a]isoindole
SpectraBase Compound ID A5NmKZC5Ehs
InChI InChI=1S/C20H16N4/c1-3-8-17(15(6-1)13-23-11-5-10-21-23)19-12-22-24-14-16-7-2-4-9-18(16)20(19)24/h1-12H,13-14H2
InChIKey LFCRLDIOQGUNQE-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C20H16N4
Exact Mass 312.137497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BecD89R8cQf
Name 3-{2-[(1H-Pyrazol-1-yl)methyl]phenyl}-8H-pyrazolo[5,1-a]isoindole
Alternate Name(s) 3-(2-((1H-pyrazol-1-yl)methyl)phenyl)-8H-pyrazolo[5,1-a]isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N4
InChI InChI=1S/C20H16N4/c1-3-8-17(15(6-1)13-23-11-5-10-21-23)19-12-22-24-14-16-7-2-4-9-18(16)20(19)24/h1-12H,13-14H2
InChIKey LFCRLDIOQGUNQE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000260
Molecular Weight 312.376 g/mol
SMILES c1-2[n](Cc3ccccc23)ncc1-c1c(cccc1)C[n]1nccc1
SPLASH splash10-0a4i-9000000000-2f4e6af4352916ed6f9b
Source of Spectrum ASC-352-2046-8
Wiley ID 1763946