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Methyl 3-Butyl-7-nitroisoquinoline-4-carboxylate
SpectraBase Compound ID BYdMJVCjlOt
InChI InChI=1S/C15H16N2O4/c1-3-4-5-13-14(15(18)21-2)12-7-6-11(17(19)20)8-10(12)9-16-13/h6-9H,3-5H2,1-2H3
InChIKey HCBYBJMLRDYXFJ-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C15H16N2O4
Exact Mass 288.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DehuBlUwfa9
Name Methyl 3-Butyl-7-nitroisoquinoline-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O4
InChI InChI=1S/C15H16N2O4/c1-3-4-5-13-14(15(18)21-2)12-7-6-11(17(19)20)8-10(12)9-16-13/h6-9H,3-5H2,1-2H3
InChIKey HCBYBJMLRDYXFJ-UHFFFAOYSA-N
Molecular Weight 288.303 g/mol
SMILES c1(N(=O)=O)cc2cnc(c(c2cc1)C(=O)OC)CCCC
SPLASH splash10-003b-0490000000-a3b9388ea2b5acee5336
Source of Spectrum U1-2011-5632-3b
Synonyms 3-Butyl-7-nitro-4-isoquinolinecarboxylic acid methyl ester Methyl 3-butyl-7-nitro-isoquinoline-4-carboxylate
Wiley ID 1703187