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4-Chlorobenzylamine, N,N-diheptyl-

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

4-Chlorobenzylamine, N,N-diheptyl-
SpectraBase Compound ID GkYGsstL9zj
InChI InChI=1S/C21H36ClN/c1-3-5-7-9-11-17-23(18-12-10-8-6-4-2)19-20-13-15-21(22)16-14-20/h13-16H,3-12,17-19H2,1-2H3
InChIKey GUMNUBGGWDGMOG-UHFFFAOYSA-N
Mol Weight 338.0 g/mol
Molecular Formula C21H36ClN
Exact Mass 337.253628 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ehbBDFTRqQ
Name 4-Chlorobenzylamine, N,N-diheptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.253627863 u
Formula C21H36ClN
InChI InChI=1S/C21H36ClN/c1-3-5-7-9-11-17-23(18-12-10-8-6-4-2)19-20-13-15-21(22)16-14-20/h13-16H,3-12,17-19H2,1-2H3
InChIKey GUMNUBGGWDGMOG-UHFFFAOYSA-N
Molecular Weight 337.979 g/mol
SMILES C1(=CC=C(C=C1)CN(CCCCCCC)CCCCCCC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905183