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Diethyl 4,4'-(6-nitropyrazolo[5,1-a]isoquinoline-3,4-diyl)dibenzoate
SpectraBase Compound ID 9h558LfJPeA
InChI InChI=1S/C29H23N3O6/c1-3-37-28(33)20-9-5-18(6-10-20)26-24-17-22(32(35)36)13-14-23(24)25-15-16-30-31(25)27(26)19-7-11-21(12-8-19)29(34)38-4-2/h5-17H,3-4H2,1-2H3
InChIKey LBIWHGKKRWYIED-UHFFFAOYSA-N
Mol Weight 509.52 g/mol
Molecular Formula C29H23N3O6
Exact Mass 509.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36xbQNi1S9s
Name Diethyl 4,4'-(6-nitropyrazolo[5,1-a]isoquinoline-3,4-diyl)dibenzoate
Alternate Name(s) Diethyl 4,4'-(8-nitropyrazolo[5,1-a]isoquinoline-5,6-diyl)dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23N3O6
InChI InChI=1S/C29H23N3O6/c1-3-37-28(33)20-9-5-18(6-10-20)26-24-17-22(32(35)36)13-14-23(24)25-15-16-30-31(25)27(26)19-7-11-21(12-8-19)29(34)38-4-2/h5-17H,3-4H2,1-2H3
InChIKey LBIWHGKKRWYIED-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol303083n
Molecular Weight 509.518 g/mol
SMILES c1c2c(ccc1[N+](=O)[O-])-c1ccn[n]1C(=C2c1ccc(cc1)C(OCC)=O)c1ccc(cc1)C(=O)OCC
SPLASH splash10-0006-9010000000-86eb27e03b72d816d250
Source of Spectrum A1-14-6318/SMS11-3ae
Wiley ID 1750914