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

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-(2-Hexyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine I
SpectraBase Compound ID IIXzSFVkewb
InChI InChI=1S/C17H27NO2/c1-4-6-7-13(3)18-15(5-2)10-14-8-9-16-17(11-14)20-12-19-16/h8-9,11,13,15,18H,4-7,10,12H2,1-3H3
InChIKey NTUSHJMGJKWQDL-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9lhNTf8lEM3
Name N-(2-Hexyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine I
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-4-6-7-13(3)18-15(5-2)10-14-8-9-16-17(11-14)20-12-19-16/h8-9,11,13,15,18H,4-7,10,12H2,1-3H3
InChIKey NTUSHJMGJKWQDL-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1=2C(=CC(CC(NC(CCCC)C)CC)=CC2)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967682