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N-Allyl-N-benzyl-1-phenyl-1-heptyn-3-amine

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

N-Allyl-N-benzyl-1-phenyl-1-heptyn-3-amine
SpectraBase Compound ID 4ng1VNqrYwI
InChI InChI=1S/C23H27N/c1-3-5-16-23(18-17-21-12-8-6-9-13-21)24(19-4-2)20-22-14-10-7-11-15-22/h4,6-15,23H,2-3,5,16,19-20H2,1H3
InChIKey NFNKHJUAFRPNDV-UHFFFAOYSA-N
Mol Weight 317.48 g/mol
Molecular Formula C23H27N
Exact Mass 317.21435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 37xaDepzhlk
Name N-Allyl-N-benzyl-1-phenyl-1-heptyn-3-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.214349873 u
Formula C23H27N
InChI InChI=1S/C23H27N/c1-3-5-16-23(18-17-21-12-8-6-9-13-21)24(19-4-2)20-22-14-10-7-11-15-22/h4,6-15,23H,2-3,5,16,19-20H2,1H3
InChIKey NFNKHJUAFRPNDV-UHFFFAOYSA-N
Molecular Weight 317.476 g/mol
SMILES C(#CC(CCCC)N(CC=1C=CC=CC1)CC=C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911718