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3,4,5,8,9,10-hexahydro-4-hydroxy-9-oxo-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,8-diethyldicarboxylate
SpectraBase Compound ID GzkJaYWiQiG
InChI InChI=1S/C20H22N2O6/c1-3-27-19(25)17-13-7-5-12-10-16(24)18(20(26)28-4-2)14-8-6-11(9-15(17)23)22(14)21(12)13/h5-8,15,17-18,23H,3-4,9-10H2,1-2H3
InChIKey ILGYWJUTJJFRID-UHFFFAOYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C20H22N2O6
Exact Mass 386.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1D3GM3Ul9TR
Name 3,4,5,8,9,10-hexahydro-4-hydroxy-9-oxo-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,8-diethyldicarboxylate
Alternate Name(s) Diethyl 4-hydroxy-9-oxo-3,4,5,8,9,10-hexahydro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,8-dicarboxylate
CAS Registry Number 110472-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O6
InChI InChI=1S/C20H22N2O6/c1-3-27-19(25)17-13-7-5-12-10-16(24)18(20(26)28-4-2)14-8-6-11(9-15(17)23)22(14)21(12)13/h5-8,15,17-18,23H,3-4,9-10H2,1-2H3
InChIKey ILGYWJUTJJFRID-UHFFFAOYSA-N
Molecular Weight 386.404 g/mol
SMILES OC1C(c2[n]3-[n]4c(C(C(=O)OCC)C(Cc3cc2)=O)ccc4C1)C(=O)OCC
SPLASH splash10-000i-0029000000-e68020f50073d181e5c3
Source of Spectrum K-120-1929-7
Wiley ID 1362557