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1,4:8,11-bisimino[14]annulene-5,12-diethyldicarboxylate
SpectraBase Compound ID Kvv0pTEXPqY
InChI InChI=1S/C20H20N2O4/c1-3-25-19(23)15-9-5-13-8-12-18(22-13)16(20(24)26-4-2)10-6-14-7-11-17(15)21-14/h5-12,21-22H,3-4H2,1-2H3/b9-5-,10-6-,13-5-,14-6-,15-9+,16-10+,17-15+,18-16+
InChIKey QCVDKDFCARZAFH-QYCFMEFHSA-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 wP3Wu3mvD8
Name 1,4:8,11-bisimino[14]annulene-5,12-diethyldicarboxylate
CAS Registry Number 110472-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-3-25-19(23)15-9-5-13-8-12-18(22-13)16(20(24)26-4-2)10-6-14-7-11-17(15)21-14/h5-12,21-22H,3-4H2,1-2H3/b9-5-,10-6-,13-5-,14-6-,15-9+,16-10+,17-15+,18-16+
InChIKey QCVDKDFCARZAFH-QYCFMEFHSA-N
Molecular Weight 352.390 g/mol
SMILES [nH]1c2\C=C/C(=C\3C=C\C(=C\C=C/(c1cc2)C(=O)OCC)N3)C(=O)OCC
SPLASH splash10-0udi-0093000000-9d38966513955256fd79
Source of Spectrum K-120-1930-4
Synonyms Diethyl 15,16-diazatricyclo[10.2.1.1(5,8)]hexadeca-1,3,5,7,9,11,13-heptaene-2,9-dicarboxylate
Wiley ID 1343275