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N-Propyl-1-(2-methoxy-4,5-methylenedioxyphenyl)butan-2-amine

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

N-Propyl-1-(2-methoxy-4,5-methylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID ITCYOt4vkVt
InChI InChI=1S/C15H23NO3/c1-4-6-16-12(5-2)7-11-8-14-15(19-10-18-14)9-13(11)17-3/h8-9,12,16H,4-7,10H2,1-3H3
InChIKey VXGJITBORRVOTD-UHFFFAOYSA-N
Mol Weight 265.35 g/mol
Molecular Formula C15H23NO3
Exact Mass 265.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KlwXepvborB
Name N-Propyl-1-(2-methoxy-4,5-methylenedioxyphenyl)butan-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.167793602 u
Formula C15H23NO3
InChI InChI=1S/C15H23NO3/c1-4-6-16-12(5-2)7-11-8-14-15(19-10-18-14)9-13(11)17-3/h8-9,12,16H,4-7,10H2,1-3H3
InChIKey VXGJITBORRVOTD-UHFFFAOYSA-N
Molecular Weight 265.353 g/mol
SMILES C=1(C(=CC2=C(C1)OCO2)OC)CC(NCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839387