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(1R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-ethanamine

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

(1R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-ethanamine
SpectraBase Compound ID 1UJBdb8Z411
InChI InChI=1S/C17H19NO2/c1-13(15-5-3-2-4-6-15)18-10-9-14-7-8-16-17(11-14)20-12-19-16/h2-8,11,13,18H,9-10,12H2,1H3/t13-/m1/s1
InChIKey GGHKITUGSHUGBO-CYBMUJFWSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JjlgDb2Mq7Y
Name (1R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-phenyl-ethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.141578854 u
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c1-13(15-5-3-2-4-6-15)18-10-9-14-7-8-16-17(11-14)20-12-19-16/h2-8,11,13,18H,9-10,12H2,1H3/t13-/m1/s1
InChIKey GGHKITUGSHUGBO-CYBMUJFWSA-N
SMILES C=12C(OCO2)=CC=C(C1)CCN[C@@](C=1C=CC=CC1)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954137