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8-Chloro-11-(1-isopropylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
SpectraBase Compound ID KjtlE8fUzl5
InChI InChI=1S/C22H25ClN2/c1-15(2)25-12-9-16(10-13-25)21-20-8-7-19(23)14-18(20)6-5-17-4-3-11-24-22(17)21/h3-4,7-8,11,14-15H,5-6,9-10,12-13H2,1-2H3
InChIKey VCSVDWFKLIDQQW-UHFFFAOYSA-N
Mol Weight 352.91 g/mol
Molecular Formula C22H25ClN2
Exact Mass 352.170627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhSYGTHhvdB
Name 8-Chloro-11-(1-isopropylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Appearance Pink foam
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Formula C22H25ClN2
InChI InChI=1S/C22H25ClN2/c1-15(2)25-12-9-16(10-13-25)21-20-8-7-19(23)14-18(20)6-5-17-4-3-11-24-22(17)21/h3-4,7-8,11,14-15H,5-6,9-10,12-13H2,1-2H3
InChIKey VCSVDWFKLIDQQW-UHFFFAOYSA-N
Instrument Name Shimadzu LC-20AD
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.9b00447
Molecular Weight 352.909 g/mol
Reported Formula C22H25ClN2
SMILES c12c(C(c3c(CC2)cc(cc3)Cl)=C2CCN(CC2)C(C)C)nccc1
SPLASH splash10-0udi-0109000000-a1765a03a52ba59af2a8
Source of Spectrum AF-62-SM71-22
Wiley ID 1873884