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N-(5'-Methyl-4'-hexenyl)-,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(5'-Methyl-4'-hexenyl)-,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde
SpectraBase Compound ID 6a4jzIOCexO
InChI InChI=1S/C17H23NO/c1-14(2)7-5-6-10-18-12-16-9-4-3-8-15(16)11-17(18)13-19/h3-5,7-9,13-14,17H,6,10-12H2,1-2H3/b7-5+
InChIKey GQTKUPAUPOFTFF-FNORWQNLSA-N
Mol Weight 257.38 g/mol
Molecular Formula C17H23NO
Exact Mass 257.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4DX7l7NTXcn
Name N-(5'-Methyl-4'-hexenyl)-,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.177964364 u
Formula C17H23NO
InChI InChI=1S/C17H23NO/c1-14(2)7-5-6-10-18-12-16-9-4-3-8-15(16)11-17(18)13-19/h3-5,7-9,13-14,17H,6,10-12H2,1-2H3/b7-5+
InChIKey GQTKUPAUPOFTFF-FNORWQNLSA-N
Molecular Weight 257.377 g/mol
SMILES C1N(C(CC2=CC=CC=C12)C=O)CC\C=C\C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950948