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2C-T-19 N-(4-methoxybenzyl)-A (-2H)

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

2C-T-19 N-(4-methoxybenzyl)-A (-2H)
SpectraBase Compound ID 2TDqXGu4pRN
InChI InChI=1S/C22H29NO3S/c1-5-6-13-27-22-15-20(25-3)18(14-21(22)26-4)11-12-23-16-17-7-9-19(24-2)10-8-17/h7-10,14-16H,5-6,11-13H2,1-4H3/b23-16+
InChIKey XONXSCVLCDUUFX-XQNSMLJCSA-N
Mol Weight 387.54 g/mol
Molecular Formula C22H29NO3S
Exact Mass 387.186815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6s7vmsPAtu
Name 2C-T-19 N-(4-Methoxybenzyl)-A (-2H)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.186814969 u
Formula C22H29NO3S
InChI InChI=1S/C22H29NO3S/c1-5-6-13-27-22-15-20(25-3)18(14-21(22)26-4)11-12-23-16-17-7-9-19(24-2)10-8-17/h7-10,14-16H,5-6,11-13H2,1-4H3/b23-16+
InChIKey XONXSCVLCDUUFX-XQNSMLJCSA-N
Molecular Weight 387.538 g/mol
SMILES C=1(C(=CC(=C(C1)OC)SCCCC)OC)CC\N=C\C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829941