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5,8-Dihydro-4,9-dichloro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,10-diethyldicarboxylate
SpectraBase Compound ID 7Xpfwe4OUzp
InChI InChI=1S/C20H18Cl2N2O4/c1-3-27-19(25)17-13(21)9-11-5-6-12-10-14(22)18(20(26)28-4-2)16-8-7-15(17)24(16)23(11)12/h5-8H,3-4,9-10H2,1-2H3
InChIKey ZSZIYKDUZZRHBF-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 2h37AqcclTP
Name 5,8-Dihydro-4,9-dichloro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,10-diethyldicarboxylate
Alternate Name(s) Diethyl 4,9-dichloro-5,8-dihydro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,10-dicarboxylate
CAS Registry Number 104313-02-2
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)9-11-5-6-12-10-14(22)18(20(26)28-4-2)16-8-7-15(17)24(16)23(11)12/h5-8H,3-4,9-10H2,1-2H3
InChIKey ZSZIYKDUZZRHBF-UHFFFAOYSA-N
Molecular Weight 421.280 g/mol
SMILES c12[n]3-[n]4c(CC(=C2C(=O)OCC)Cl)ccc4CC(=C(c3cc1)C(=O)OCC)Cl
SPLASH splash10-00di-0002900000-61a8f203af060537ac23
Source of Spectrum K-120-1930-8
Wiley ID 1377836