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N-Benzyl-2-vinylazacyclodecane

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

N-Benzyl-2-vinylazacyclodecane
SpectraBase Compound ID 1PfJDdFtCtj
InChI InChI=1S/C18H27N/c1-2-18-14-10-5-3-4-6-11-15-19(18)16-17-12-8-7-9-13-17/h2,7-9,12-13,18H,1,3-6,10-11,14-16H2
InChIKey TUBRHZOARQKIRR-UHFFFAOYSA-N
Mol Weight 257.42 g/mol
Molecular Formula C18H27N
Exact Mass 257.21435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GoaHMdx5pRO
Name N-Benzyl-2-vinylazacyclodecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.214349873 u
Formula C18H27N
InChI InChI=1S/C18H27N/c1-2-18-14-10-5-3-4-6-11-15-19(18)16-17-12-8-7-9-13-17/h2,7-9,12-13,18H,1,3-6,10-11,14-16H2
InChIKey TUBRHZOARQKIRR-UHFFFAOYSA-N
Molecular Weight 257.421 g/mol
SMILES C(N1C(C=C)CCCCCCCC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950262