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1-Isoquinolinemethanamine, N-decyl-1,2,3,4-tetrahydro-N-methyl-

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

1-Isoquinolinemethanamine, N-decyl-1,2,3,4-tetrahydro-N-methyl-
SpectraBase Compound ID AynclYZ2vAm
InChI InChI=1S/C21H36N2/c1-2-3-4-5-6-7-8-9-12-16-22-18-21-20-14-11-10-13-19(20)15-17-23-21/h10-11,13-14,21-23H,2-9,12,15-18H2,1H3
InChIKey LRINGWBQHHATPR-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H36N2
Exact Mass 316.287849 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNt2mKYoM9k
Name 1-Isoquinolinemethanamine, N-decyl-1,2,3,4-tetrahydro-N-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.287849167 u
Formula C21H36N2
InChI InChI=1S/C21H36N2/c1-2-3-4-5-6-7-8-9-12-16-22-18-21-20-14-11-10-13-19(20)15-17-23-21/h10-11,13-14,21-23H,2-9,12,15-18H2,1H3
InChIKey LRINGWBQHHATPR-UHFFFAOYSA-N
Molecular Weight 316.533 g/mol
SMILES C1=2C(NCCC2C=CC=C1)CNCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873258