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3-(3',4'-Methylenedioxyphenyl)-1-phenylethanamine

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

3-(3',4'-Methylenedioxyphenyl)-1-phenylethanamine
SpectraBase Compound ID DTZRgXwjulK
InChI InChI=1S/C15H15NO2/c16-13(12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)18-10-17-14/h1-7,9,13H,8,10,16H2
InChIKey UYTHWQMJKBSROW-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C15H15NO2
Exact Mass 241.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IMoJYLmcLTm
Name 3-(3',4'-Methylenedioxyphenyl)-1-phenylethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.110278725 u
Formula C15H15NO2
InChI InChI=1S/C15H15NO2/c16-13(12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)18-10-17-14/h1-7,9,13H,8,10,16H2
InChIKey UYTHWQMJKBSROW-UHFFFAOYSA-N
Molecular Weight 241.290 g/mol
SMILES C12=C(OCO2)C=CC(=C1)CC(C1=CC=CC=C1)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956818