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3,4,5,8,9,10-hexahydro-4-hydroxy-9-oxo-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,10-diethyldicarboxylate
SpectraBase Compound ID ITQ3kXIxCO8
InChI InChI=1S/C20H22N2O6/c1-3-27-19(25)17-13-7-8-14-18(20(26)28-4-2)16(24)10-12-6-5-11(9-15(17)23)21(12)22(13)14/h5-8,15,17-18,23H,3-4,9-10H2,1-2H3
InChIKey NOQMLXLLQPOZCK-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 ABTXduIEloA
Name 3,4,5,8,9,10-hexahydro-4-hydroxy-9-oxo-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,10-diethyldicarboxylate
CAS Registry Number 110472-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O6
InChI InChI=1S/C20H22N2O6/c1-3-27-19(25)17-13-7-8-14-18(20(26)28-4-2)16(24)10-12-6-5-11(9-15(17)23)21(12)22(13)14/h5-8,15,17-18,23H,3-4,9-10H2,1-2H3
InChIKey NOQMLXLLQPOZCK-UHFFFAOYSA-N
Molecular Weight 386.404 g/mol
SMILES OC1C(c2[n]-3c(C(C(=O)Cc4[n]3c(C1)cc4)C(=O)OCC)cc2)C(=O)OCC
SPLASH splash10-000b-0079000000-45a2ae7d1c3d779aa8e2
Source of Spectrum K-120-1929-7
Synonyms Diethyl 4-hydroxy-9-oxo-3,4,5,8,9,10-hexahydro-10b,10c-diazadicyclopenta[ef,kl]heptalene-3,10-dicarboxylate
Wiley ID 1362558