For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-(4'-Methyl-3'-pentenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde

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

N-(4'-Methyl-3'-pentenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde
SpectraBase Compound ID B5D7DERLjz6
InChI InChI=1S/C16H21NO/c1-13(2)6-5-9-17-11-15-8-4-3-7-14(15)10-16(17)12-18/h3-4,6-8,12,16H,5,9-11H2,1-2H3
InChIKey WREISAVRCJCHKW-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GxUXp2UYB9i
Name N-(4'-Methyl-3'-pentenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.162314299 u
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-13(2)6-5-9-17-11-15-8-4-3-7-14(15)10-16(17)12-18/h3-4,6-8,12,16H,5,9-11H2,1-2H3
InChIKey WREISAVRCJCHKW-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES C1N(C(CC=2C=CC=CC12)C=O)CCC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963336