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Bicyclo[4.4.1]undeca-3,6,8,10-tetraene-2,5-dione, 2-[(2-methyl-6-nitrophenyl)hydrazone], (Z)-
SpectraBase Compound ID FwK7cqi3AwB
InChI InChI=1S/C18H15N3O3/c1-12-5-4-8-16(21(23)24)18(12)20-19-15-9-10-17(22)14-7-3-2-6-13(15)11-14/h2-10,20H,11H2,1H3/b19-15+
InChIKey XDYYHVIHBWXLIA-XDJHFCHBSA-N
Mol Weight 321.34 g/mol
Molecular Formula C18H15N3O3
Exact Mass 321.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WygcbldUQW
Name Bicyclo[4.4.1]undeca-3,6,8,10-tetraene-2,5-dione, 2-[(2-methyl-6-nitrophenyl)hydrazone], (Z)-
Alternate Name(s) (2E)-bicyclo[4.4.1]undeca-1(10),3,6,8-tetraene-2,5-dione 2-[(2-methyl-6-nitrophenyl)hydrazone] Bicyclo[4.4.1]undeca-3,6,8,10-tetraen-2,5-dion-2-(2-methyl-6-nitrophenylhydrazone)
CAS Registry Number 87399-27-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O3
InChI InChI=1S/C18H15N3O3/c1-12-5-4-8-16(21(23)24)18(12)20-19-15-9-10-17(22)14-7-3-2-6-13(15)11-14/h2-10,20H,11H2,1H3/b19-15+
InChIKey XDYYHVIHBWXLIA-XDJHFCHBSA-N
Molecular Weight 321.336 g/mol
SMILES N(c1c(N(=O)=O)cccc1C)\N=C\1C=2CC(=CC=CC2)C(C=C1)=O
SPLASH splash10-0079-0095000000-115e055b3e6816e52cad
Source of Spectrum K-116-2886-0
Wiley ID 1320924