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5,10-dihydro-4,9-dichloro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,8-diethyldicarboxylate
SpectraBase Compound ID 9XvAz8bG4OT
InChI InChI=1S/C20H18Cl2N2O4/c1-3-27-19(25)17-13(21)9-11-6-8-16-18(20(26)28-4-2)14(22)10-12-5-7-15(17)23(12)24(11)16/h5-8H,3-4,9-10H2,1-2H3
InChIKey FPIPZFPSHJXIDD-UHFFFAOYSA-N
Mol Weight 421.28 g/mol
Molecular Formula C20H18Cl2N2O4
Exact Mass 420.064362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTqp1vPN4ri
Name 5,10-dihydro-4,9-dichloro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,8-diethyldicarboxylate
Alternate Name(s) Diethyl 4,9-dichloro-5,10-dihydro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,8-dicarboxylate
CAS Registry Number 104313-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18Cl2N2O4
InChI InChI=1S/C20H18Cl2N2O4/c1-3-27-19(25)17-13(21)9-11-6-8-16-18(20(26)28-4-2)14(22)10-12-5-7-15(17)23(12)24(11)16/h5-8H,3-4,9-10H2,1-2H3
InChIKey FPIPZFPSHJXIDD-UHFFFAOYSA-N
Molecular Weight 421.280 g/mol
SMILES c12[n]3-[n]4c(CC(=C2C(=O)OCC)Cl)ccc4C(=C(Cl)Cc3cc1)C(=O)OCC
SPLASH splash10-00di-0013900000-a12c0e17dcfcac0fe556
Source of Spectrum K-120-1930-8
Wiley ID 1377835