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8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine fumarate

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8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine fumarate
SpectraBase Compound ID 5y77Gm0QjOE
InChI InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
InChIKey VLXSCTINYKDTKR-UHFFFAOYSA-N
Mol Weight 324.86 g/mol
Molecular Formula C20H21ClN2
Exact Mass 324.139326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZmwpGHYSnE
Name 13-Chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0(3,8)]pentadeca-1(11),3(8),4,6,12,14-hexaene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.139326384 u
Formula C20H21ClN2
InChI InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
InChIKey VLXSCTINYKDTKR-UHFFFAOYSA-N
Molecular Weight 324.855 g/mol
SMILES C12=C(C=CC(=C2)Cl)C(C2=C(C=CC=N2)CC1)=C1CCN(CC1)C