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N-Cyclohexyl-1-(3,4-methylenedioxyphenyl)butan-2-amine

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

N-Cyclohexyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID 6DU2HiHCFWI
InChI InChI=1S/C17H25NO2/c1-2-14(18-15-6-4-3-5-7-15)10-13-8-9-16-17(11-13)20-12-19-16/h8-9,11,14-15,18H,2-7,10,12H2,1H3
InChIKey FQTKMRDWFLJKNT-UHFFFAOYSA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5chr9nHTspX
Name N-Cyclohexyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.188529047 u
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-2-14(18-15-6-4-3-5-7-15)10-13-8-9-16-17(11-13)20-12-19-16/h8-9,11,14-15,18H,2-7,10,12H2,1H3
InChIKey FQTKMRDWFLJKNT-UHFFFAOYSA-N
SMILES C1=2C(=CC=C(C2)CC(NC2CCCCC2)CC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893317