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2-[1-(3-piperidinopropyl)-4(1H)-pyridylidene]-1,3-indandione

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-[1-(3-piperidinopropyl)-4(1H)-pyridylidene]-1,3-indandione
SpectraBase Compound ID Grz9nv30b42
InChI InChI=1S/C22H24N2O2/c25-21-18-7-2-3-8-19(18)22(26)20(21)17-9-15-24(16-10-17)14-6-13-23-11-4-1-5-12-23/h2-3,7-10,15-16H,1,4-6,11-14H2
InChIKey QPDOHZVDJPVKAC-UHFFFAOYSA-N
Mol Weight 348.45 g/mol
Molecular Formula C22H24N2O2
Exact Mass 348.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5V7AWCqHBfA
Name 2-[1-(3-Piperidinopropyl)-4(1H)-pyridylidene]-1,3-indandione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.183778019 u
Formula C22H24N2O2
InChI InChI=1S/C22H24N2O2/c25-21-18-7-2-3-8-19(18)22(26)20(21)17-9-15-24(16-10-17)14-6-13-23-11-4-1-5-12-23/h2-3,7-10,15-16H,1,4-6,11-14H2
InChIKey QPDOHZVDJPVKAC-UHFFFAOYSA-N
Molecular Weight 348.446 g/mol
SMILES C=12C=CC=CC1C(C(C2=O)=C1C=CN(C=C1)CCCN1CCCCC1)=O