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Methyl-2-(8H-[1,2,3]triazolo[5,1-a]isoindol-3-yl)-5-chlorobenzoate
SpectraBase Compound ID 4IKiZIcIaY7
InChI InChI=1S/C17H12ClN3O2/c1-23-17(22)14-8-11(18)6-7-13(14)15-16-12-5-3-2-4-10(12)9-21(16)20-19-15/h2-8H,9H2,1H3
InChIKey CBWVHPYORRQMRQ-UHFFFAOYSA-N
Mol Weight 325.76 g/mol
Molecular Formula C17H12ClN3O2
Exact Mass 325.061804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1KiWcb90B3
Name Methyl-2-(8H-[1,2,3]triazolo[5,1-a]isoindol-3-yl)-5-chlorobenzoate
Alternate Name(s) Methyl 2-(8H-[1,2,3]triazolo[5,1-a]isoindol-3-yl)-5-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClN3O2
InChI InChI=1S/C17H12ClN3O2/c1-23-17(22)14-8-11(18)6-7-13(14)15-16-12-5-3-2-4-10(12)9-21(16)20-19-15/h2-8H,9H2,1H3
InChIKey CBWVHPYORRQMRQ-UHFFFAOYSA-N
Molecular Weight 325.755 g/mol
SMILES C(c1c(ccc(c1)Cl)-c1nn[n]2c1-c1ccccc1C2)(=O)OC
SPLASH splash10-066r-0934000000-bcdfeb9d7a6aae67ac5a
Source of Spectrum JCR-39-189-2d
Wiley ID 1804140