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Ethyl 4-(8-chloro-5,6-dihydro-6-oxo-11H-benzo[5,6]cyclohepta[1,2-b]pyridine-11-ylidene)-1-piperidinecarboxylate
SpectraBase Compound ID G6T8nz83gY0
InChI InChI=1S/C22H21ClN2O3/c1-2-28-22(27)25-10-7-14(8-11-25)20-17-6-5-16(23)13-18(17)19(26)12-15-4-3-9-24-21(15)20/h3-6,9,13H,2,7-8,10-12H2,1H3
InChIKey WLNGSIKQJPVNPI-UHFFFAOYSA-N
Mol Weight 396.87 g/mol
Molecular Formula C22H21ClN2O3
Exact Mass 396.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1qhDYnZBiD
Name Ethyl 4-(8-chloro-5,6-dihydro-6-oxo-11H-benzo[5,6]cyclohepta[1,2-b]pyridine-11-ylidene)-1-piperidinecarboxylate
CAS Registry Number 126063-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN2O3
InChI InChI=1S/C22H21ClN2O3/c1-2-28-22(27)25-10-7-14(8-11-25)20-17-6-5-16(23)13-18(17)19(26)12-15-4-3-9-24-21(15)20/h3-6,9,13H,2,7-8,10-12H2,1H3
InChIKey WLNGSIKQJPVNPI-UHFFFAOYSA-N
Molecular Weight 396.874 g/mol
SMILES C1(c2c(C(=O)Cc3c1nccc3)cc(cc2)Cl)=C1CCN(CC1)C(=O)OCC
SPLASH splash10-0002-0049000000-5e94d76a2f645f35d8be
Source of Spectrum J-55-3347-16
Synonyms Ethyl 4-(8-chloro-6-oxo-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate 4-(8-Chloro-6-oxo-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester Ethyl 4-(8-chloro-6-oxo-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate Ethyl 4-(8-chloranyl-6-oxidanylidene-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate
Wiley ID 1367451