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Isoquinoline, 6,7-dimethoxy-8-nitro-1-(2-nitroethenyl)-
SpectraBase Compound ID 4bgsitmrHYn
InChI InChI=1S/C13H11N3O6/c1-21-10-7-8-3-5-14-9(4-6-15(17)18)11(8)12(16(19)20)13(10)22-2/h3-7H,1-2H3/b6-4+
InChIKey HICGNMIGHROKBG-GQCTYLIASA-N
Mol Weight 305.25 g/mol
Molecular Formula C13H11N3O6
Exact Mass 305.064785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DasBGYHmI5
Name Isoquinoline, 6,7-dimethoxy-8-nitro-1-(2-nitroethenyl)-
Alternate Name(s) 1-(6,7-Dimethoxy-8-nitro-1-isoquinolyl)-2-nitroethene 6,7-Dimethoxy-8-nitro-1-[(E)-2-nitroethenyl]isoquinoline
CAS Registry Number 132213-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3O6
InChI InChI=1S/C13H11N3O6/c1-21-10-7-8-3-5-14-9(4-6-15(17)18)11(8)12(16(19)20)13(10)22-2/h3-7H,1-2H3/b6-4+
InChIKey HICGNMIGHROKBG-GQCTYLIASA-N
Molecular Weight 305.246 g/mol
SMILES c1(N(=O)=O)c2c(ccnc2\C=C\N(=O)=O)cc(c1OC)OC
SPLASH splash10-00or-9040000000-398d72c4038520ce16cc
Source of Spectrum KC-1990-3197-3
Wiley ID 1307146