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1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-[1,2,4]triazol-1-yl)-ethanone
SpectraBase Compound ID E5fKdBTLXuP
InChI InChI=1S/C13H13N5O3/c19-12(8-17-9-14-13(15-17)18(20)21)16-6-5-10-3-1-2-4-11(10)7-16/h1-4,9H,5-8H2
InChIKey WZLPFDQQFLAJME-UHFFFAOYSA-N
Mol Weight 287.28 g/mol
Molecular Formula C13H13N5O3
Exact Mass 287.101839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BdKIS8s0FV
Name 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-[1,2,4]triazol-1-yl)-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5O3
InChI InChI=1S/C13H13N5O3/c19-12(8-17-9-14-13(15-17)18(20)21)16-6-5-10-3-1-2-4-11(10)7-16/h1-4,9H,5-8H2
InChIKey WZLPFDQQFLAJME-UHFFFAOYSA-N
Molecular Weight 287.279 g/mol
SMILES c12c(CCN(C2)C(C[n]2nc(N(=O)=O)nc2)=O)cccc1
SPLASH splash10-001i-3900000000-78b939fe1ee3d7c0833c
Wiley ID 1457019