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1-Benzyl-4-(cyclohexylamino)isonipecotonitrile

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

1-Benzyl-4-(cyclohexylamino)isonipecotonitrile
SpectraBase Compound ID 77EUZlL0glm
InChI InChI=1S/C19H27N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-15H2
InChIKey MNEJRCLOVDRIAQ-UHFFFAOYSA-N
Mol Weight 297.45 g/mol
Molecular Formula C19H27N3
Exact Mass 297.220498 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IfPpr1uRTaw
Name 1-Benzyl-4-(cyclohexylamino)isonipecotonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.220497881 u
Formula C19H27N3
InChI InChI=1S/C19H27N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-15H2
InChIKey MNEJRCLOVDRIAQ-UHFFFAOYSA-N
Molecular Weight 297.446 g/mol
SMILES N(C1(CCN(CC1)CC1=CC=CC=C1)C#N)C1CCCCC1
Spectrum/Structure Validation Score (Raman) 0.98019