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1,4:8,11-bisimino[14]annulene-5,14-diethyldicarboxylate
SpectraBase Compound ID CV3h4czHvtG
InChI InChI=1S/C20H20N2O4/c1-3-25-19(23)15-9-7-13-5-6-14(21-13)8-10-16(20(24)26-4-2)18-12-11-17(15)22-18/h5-12,21-22H,3-4H2,1-2H3/b9-7-,10-8-,13-7-,14-8-,15-9+,16-10+,17-15+,18-16+
InChIKey GPEUVOYZRWQZQT-XGIQSMNOSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IHReOS8EZF
Name 1,4:8,11-bisimino[14]annulene-5,14-diethyldicarboxylate
CAS Registry Number 110472-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-3-25-19(23)15-9-7-13-5-6-14(21-13)8-10-16(20(24)26-4-2)18-12-11-17(15)22-18/h5-12,21-22H,3-4H2,1-2H3/b9-7-,10-8-,13-7-,14-8-,15-9+,16-10+,17-15+,18-16+
InChIKey GPEUVOYZRWQZQT-XGIQSMNOSA-N
Molecular Weight 352.390 g/mol
SMILES N1\C2=C/(\C=C/c3[nH]c(\C=C/C(=C\1C=C2)C(=O)OCC)cc3)C(=O)OCC
SPLASH splash10-0pb9-0094000000-5a217ef05d2108374cf6
Source of Spectrum K-120-1931-4
Synonyms Diethyl 15,16-diazatricyclo[10.2.1.1(5,8)]hexadeca-1,3,5,7,9,11,13-heptaene-2,11-dicarboxylate
Wiley ID 1343276