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1-Benzyl-3-methylazacyclodecane

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

1-Benzyl-3-methylazacyclodecane
SpectraBase Compound ID 9TWrLoUvh17
InChI InChI=1S/C17H27N/c1-16-10-6-3-2-4-9-13-18(14-16)15-17-11-7-5-8-12-17/h5,7-8,11-12,16H,2-4,6,9-10,13-15H2,1H3
InChIKey AVFGSRVUQMGGEK-UHFFFAOYSA-N
Mol Weight 245.41 g/mol
Molecular Formula C17H27N
Exact Mass 245.21435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Cuy0ab0e5D
Name 1-Benzyl-3-methylazacyclodecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.214349873 u
Formula C17H27N
InChI InChI=1S/C17H27N/c1-16-10-6-3-2-4-9-13-18(14-16)15-17-11-7-5-8-12-17/h5,7-8,11-12,16H,2-4,6,9-10,13-15H2,1H3
InChIKey AVFGSRVUQMGGEK-UHFFFAOYSA-N
Molecular Weight 245.410 g/mol
SMILES C(N1CC(C)CCCCCCC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956764