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8-Chloro-11-(1-ethylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
SpectraBase Compound ID 6w0bCDsrZxr
InChI InChI=1S/C21H23ClN2/c1-2-24-12-9-15(10-13-24)20-19-8-7-18(22)14-17(19)6-5-16-4-3-11-23-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChIKey HCTNSTBDADQMJO-UHFFFAOYSA-N
Mol Weight 338.88 g/mol
Molecular Formula C21H23ClN2
Exact Mass 338.154976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGnEgJPGxG7
Name 8-Chloro-11-(1-ethylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Appearance Pink foam
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Formula C21H23ClN2
InChI InChI=1S/C21H23ClN2/c1-2-24-12-9-15(10-13-24)20-19-8-7-18(22)14-17(19)6-5-16-4-3-11-23-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChIKey HCTNSTBDADQMJO-UHFFFAOYSA-N
Instrument Name Shimadzu LC-20AD
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.9b00447
Molecular Weight 338.882 g/mol
Reported Formula C21H23ClN2
SMILES c12c(C(c3c(CC2)cc(cc3)Cl)=C2CCN(CC2)CC)nccc1
SPLASH splash10-0006-0009000000-836fe1f8989d250bcbd7
Source of Spectrum AF-62-SM74-23
Wiley ID 1873885