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3-Phenylpropylamine N-(3-bromobenzyl)

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

3-Phenylpropylamine N-(3-bromobenzyl)
SpectraBase Compound ID 5QM4612LIN1
InChI InChI=1S/C16H18BrN/c17-16-10-4-8-15(12-16)13-18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,18H,5,9,11,13H2
InChIKey SPNYDNFUMUNCOQ-UHFFFAOYSA-N
Mol Weight 304.23 g/mol
Molecular Formula C16H18BrN
Exact Mass 303.062263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Im9J3tmd4R
Name 3-Phenylpropylamine N-(3-bromobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.062262584 u
Formula C16H18BrN
InChI InChI=1S/C16H18BrN/c17-16-10-4-8-15(12-16)13-18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,18H,5,9,11,13H2
InChIKey SPNYDNFUMUNCOQ-UHFFFAOYSA-N
Molecular Weight 304.231 g/mol
SMILES C=1(CNCCCC=2C=CC=CC2)C=C(C=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977975