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

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

N-Hexyl-2-methyl-2-(3,4-methylenedioxyphenyl)propan-1-amine
SpectraBase Compound ID GBEeRRTYHih
InChI InChI=1S/C17H27NO2/c1-4-5-6-7-10-18-12-17(2,3)14-8-9-15-16(11-14)20-13-19-15/h8-9,11,18H,4-7,10,12-13H2,1-3H3
InChIKey JPMCQZSZGVUTAE-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 GmjER9xJ3IA
Name N-Hexyl-2-methyl-2-(3,4-methylenedioxyphenyl)propan-1-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/c1-4-5-6-7-10-18-12-17(2,3)14-8-9-15-16(11-14)20-13-19-15/h8-9,11,18H,4-7,10,12-13H2,1-3H3
InChIKey JPMCQZSZGVUTAE-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C(C=1C=C2C(=CC1)OCO2)(CNCCCCCC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919353