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(E)-3-(1-cyclohexenyl)-N-(phenylmethyl)-2-propen-1-amine

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

(E)-3-(1-cyclohexenyl)-N-(phenylmethyl)-2-propen-1-amine
SpectraBase Compound ID 13lkHch81K3
InChI InChI=1S/C16H21N/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h2,5-8,10-12,17H,1,3-4,9,13-14H2/b12-7+
InChIKey LFDZBMLRWLVNCI-KPKJPENVSA-N
Mol Weight 227.35 g/mol
Molecular Formula C16H21N
Exact Mass 227.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IdBso33MIab
Name (E)-3-(1-Cyclohexenyl)-N-(phenylmethyl)-2-propen-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.167399680 u
Formula C16H21N
InChI InChI=1S/C16H21N/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h2,5-8,10-12,17H,1,3-4,9,13-14H2/b12-7+
InChIKey LFDZBMLRWLVNCI-KPKJPENVSA-N
Molecular Weight 227.351 g/mol
SMILES C1(\C=C\CNCC=2C=CC=CC2)=CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969594