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N,N-Dibenzyl-5-(4-bromophenyl)-1-pentyn-3-amine

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

N,N-Dibenzyl-5-(4-bromophenyl)-1-pentyn-3-amine
SpectraBase Compound ID 7CfmgPMWayz
InChI InChI=1S/C25H24BrN/c1-2-25(18-15-21-13-16-24(26)17-14-21)27(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h1,3-14,16-17,25H,15,18-20H2
InChIKey ZXTLFNURLBDZSG-UHFFFAOYSA-N
Mol Weight 418.38 g/mol
Molecular Formula C25H24BrN
Exact Mass 417.109213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBOUJBIo3MB
Name N,N-Dibenzyl-5-(4-bromophenyl)-1-pentyn-3-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.109212777 u
Formula C25H24BrN
InChI InChI=1S/C25H24BrN/c1-2-25(18-15-21-13-16-24(26)17-14-21)27(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h1,3-14,16-17,25H,15,18-20H2
InChIKey ZXTLFNURLBDZSG-UHFFFAOYSA-N
Molecular Weight 418.378 g/mol
SMILES C#CC(CCC=1C=CC(=CC1)Br)N(CC=1C=CC=CC1)CC=1C=CC=CC1