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Methyl 3-Butyl-6-nitroisoquinoline-4-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 3-Butyl-6-nitroisoquinoline-4-carboxylate
SpectraBase Compound ID DBKpdo7kCoW
InChI InChI=1S/C15H16N2O4/c1-3-4-5-13-14(15(18)21-2)12-8-11(17(19)20)7-6-10(12)9-16-13/h6-9H,3-5H2,1-2H3
InChIKey KCCRECDXIACOHN-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 4ToDf4Y8JT3
Name Methyl 3-Butyl-6-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)12-8-11(17(19)20)7-6-10(12)9-16-13/h6-9H,3-5H2,1-2H3
InChIKey KCCRECDXIACOHN-UHFFFAOYSA-N
Molecular Weight 288.303 g/mol
SMILES c1(c2cc(N(=O)=O)ccc2cnc1CCCC)C(=O)OC
SPLASH splash10-003b-0590000000-6ef08c16ba48ea04837f
Source of Spectrum U1-2011-5632-3d
Synonyms 3-Butyl-6-nitro-4-isoquinolinecarboxylic acid methyl ester Methyl 3-butyl-6-nitro-isoquinoline-4-carboxylate
Wiley ID 1703185