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

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

N-Hexyl-1-(3,4-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID H8WDJmAIuIV
InChI InChI=1S/C17H27NO2/c1-3-5-6-7-10-18-15(4-2)11-14-8-9-16-17(12-14)20-13-19-16/h8-9,12,15,18H,3-7,10-11,13H2,1-2H3
InChIKey VRIJDNLWHMCYSQ-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 JvASNGc1EQO
Name N-Hexyl-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 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-3-5-6-7-10-18-15(4-2)11-14-8-9-16-17(12-14)20-13-19-16/h8-9,12,15,18H,3-7,10-11,13H2,1-2H3
InChIKey VRIJDNLWHMCYSQ-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1=2C(=CC=C(C2)CC(NCCCCCC)CC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975621