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1-(3-Phenylpropyl)-4-(3-pyridinylcarbonyl)piperazin-1-ium
SpectraBase Compound ID LLPiE0BvG42
InChI InChI=1S/C19H23N3O/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2/p+1
InChIKey LZBPVBQVSMVFQV-UHFFFAOYSA-O
Mol Weight 310.42 g/mol
Molecular Formula C19H24N3O
Exact Mass 310.191937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGo5NjYo365
Name 1-(3-Phenylpropyl)-4-(3-pyridinylcarbonyl)piperazin-1-ium
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.191937404 u
Formula C19H24N3O
InChI InChI=1S/C19H23N3O/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16H,5,8,11-15H2/p+1
InChIKey LZBPVBQVSMVFQV-UHFFFAOYSA-O
Molecular Weight 310.421 g/mol
SMILES C(N1CC[NH+](CC1)CCCC=1C=CC=CC1)(C=1C=NC=CC1)=O