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Benzo[f]isoquinoline, 1,2-dihydro-2,2-dimethyl-4-[2-(1-piperidyl)ethyl]-
SpectraBase Compound ID Fr7JBQJWHgw
InChI InChI=1S/C22H28N2/c1-22(2)16-20-18-9-5-4-8-17(18)10-11-19(20)21(23-22)12-15-24-13-6-3-7-14-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3
InChIKey JEQBWWPAELPHQM-UHFFFAOYSA-N
Mol Weight 320.48 g/mol
Molecular Formula C22H28N2
Exact Mass 320.225249 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4LndSHosETj
Name Benzo[F]isoquinoline, 1,2-dihydro-2,2-dimethyl-4-[2-(1-piperidyl)ethyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.225248910 u
Formula C22H28N2
InChI InChI=1S/C22H28N2/c1-22(2)16-20-18-9-5-4-8-17(18)10-11-19(20)21(23-22)12-15-24-13-6-3-7-14-24/h4-5,8-11H,3,6-7,12-16H2,1-2H3
InChIKey JEQBWWPAELPHQM-UHFFFAOYSA-N
Molecular Weight 320.480 g/mol
SMILES C12=C3C(C=CC=C3)=CC=C1C(=NC(C2)(C)C)CCN1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802889