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N-Ethyl-N-hexyl-1-(3,4-methylenedioxyphenyl)-2-amino-1-propanone

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

N-Ethyl-N-hexyl-1-(3,4-methylenedioxyphenyl)-2-amino-1-propanone
SpectraBase Compound ID 3WhHiR7Ofu8
InChI InChI=1S/C18H27NO3/c1-4-6-7-8-11-19(5-2)14(3)18(20)15-9-10-16-17(12-15)22-13-21-16/h9-10,12,14H,4-8,11,13H2,1-3H3
InChIKey SUDADYAPCYNRDJ-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxmHevnirRj
Name N-Ethyl-N-hexyl-1-(3,4-methylenedioxyphenyl)-2-amino-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.199093730 u
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-4-6-7-8-11-19(5-2)14(3)18(20)15-9-10-16-17(12-15)22-13-21-16/h9-10,12,14H,4-8,11,13H2,1-3H3
InChIKey SUDADYAPCYNRDJ-UHFFFAOYSA-N
Molecular Weight 305.418 g/mol
SMILES C=1(C(C(N(CCCCCC)CC)C)=O)C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953361