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N-iso-Propyl-1-(3,4-methylenedioxyphenyl)butan-2-amine prop

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

N-iso-Propyl-1-(3,4-methylenedioxyphenyl)butan-2-amine prop
SpectraBase Compound ID IooPubycUrG
InChI InChI=1S/C17H25NO3/c1-5-14(18(12(3)4)17(19)6-2)9-13-7-8-15-16(10-13)21-11-20-15/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKey YJSCVZVJLWFXNQ-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cf6ZSurca3k
Name N-iso-Propyl-1-(3,4-methylenedioxyphenyl)butan-2-amine prop
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.183443666 u
Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-5-14(18(12(3)4)17(19)6-2)9-13-7-8-15-16(10-13)21-11-20-15/h7-8,10,12,14H,5-6,9,11H2,1-4H3
InChIKey YJSCVZVJLWFXNQ-UHFFFAOYSA-N
SMILES C(N(C(CC)=O)C(C)C)(CC=1C=C2C(=CC1)OCO2)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93719