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8-Chloro-11-(1-cyclopropylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
SpectraBase Compound ID 7PgfMYjHMY3
InChI InChI=1S/C22H23ClN2/c23-18-5-8-20-17(14-18)4-3-16-2-1-11-24-22(16)21(20)15-9-12-25(13-10-15)19-6-7-19/h1-2,5,8,11,14,19H,3-4,6-7,9-10,12-13H2
InChIKey AERRKKBSDKIBCD-UHFFFAOYSA-N
Mol Weight 350.89 g/mol
Molecular Formula C22H23ClN2
Exact Mass 350.154976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5XCvMDUjiI
Name 8-Chloro-11-(1-cyclopropylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Appearance Pink foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23ClN2
InChI InChI=1S/C22H23ClN2/c23-18-5-8-20-17(14-18)4-3-16-2-1-11-24-22(16)21(20)15-9-12-25(13-10-15)19-6-7-19/h1-2,5,8,11,14,19H,3-4,6-7,9-10,12-13H2
InChIKey AERRKKBSDKIBCD-UHFFFAOYSA-N
Instrument Name Shimadzu LC-20AD
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.9b00447
Molecular Weight 350.893 g/mol
Reported Formula C22H23ClN2
SMILES c12c(C(c3c(CC2)cc(cc3)Cl)=C2CCN(CC2)C2CC2)nccc1
SPLASH splash10-0udi-0109000000-dc0f56f4937cc2a08fe3
Source of Spectrum AF-62-SM68-21
Wiley ID 1873883