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(2,5-Dimethoxybenzyl)-[2-(phenylthio)ethyl]amine

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

(2,5-Dimethoxybenzyl)-[2-(phenylthio)ethyl]amine
SpectraBase Compound ID 2nAw4Bkl7Y5
InChI InChI=1S/C17H21NO2S/c1-19-15-8-9-17(20-2)14(12-15)13-18-10-11-21-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3
InChIKey JMWXQFJATPMDNC-UHFFFAOYSA-N
Mol Weight 303.42 g/mol
Molecular Formula C17H21NO2S
Exact Mass 303.1293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GyF49XDxqvK
Name (2,5-Dimethoxybenzyl)-[2-(phenylthio)ethyl]amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.129300092 u
Formula C17H21NO2S
InChI InChI=1S/C17H21NO2S/c1-19-15-8-9-17(20-2)14(12-15)13-18-10-11-21-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3
InChIKey JMWXQFJATPMDNC-UHFFFAOYSA-N
SMILES C(NCC=1C(=CC=C(C1)OC)OC)CSC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941846