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4-Ethylbenzylamine, N,N-diheptyl-

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

4-Ethylbenzylamine, N,N-diheptyl-
SpectraBase Compound ID 8P3SmjVrfNt
InChI InChI=1S/C23H41N/c1-4-7-9-11-13-19-24(20-14-12-10-8-5-2)21-23-17-15-22(6-3)16-18-23/h15-18H,4-14,19-21H2,1-3H3
InChIKey KCINUQCIDYTLNF-UHFFFAOYSA-N
Mol Weight 331.6 g/mol
Molecular Formula C23H41N
Exact Mass 331.3239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3UToGkE25XD
Name 4-Ethylbenzylamine, N,N-diheptyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.323900324 u
Formula C23H41N
InChI InChI=1S/C23H41N/c1-4-7-9-11-13-19-24(20-14-12-10-8-5-2)21-23-17-15-22(6-3)16-18-23/h15-18H,4-14,19-21H2,1-3H3
InChIKey KCINUQCIDYTLNF-UHFFFAOYSA-N
Molecular Weight 331.588 g/mol
SMILES C(N(CCCCCCC)CCCCCCC)C1=CC=C(CC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90806