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N-{3-iodo-5-methoxy-4-[2-oxo-2-(2-toluidino)ethoxy]benzyl}-1-propanaminium chloride
SpectraBase Compound ID CquKIglMb9I
InChI InChI=1S/C20H25IN2O3.ClH/c1-4-9-22-12-15-10-16(21)20(18(11-15)25-3)26-13-19(24)23-17-8-6-5-7-14(17)2;/h5-8,10-11,22H,4,9,12-13H2,1-3H3,(H,23,24);1H
InChIKey RNSJBVLOFNTBQT-UHFFFAOYSA-N
Mol Weight 504.8 g/mol
Molecular Formula C20H26ClIN2O3
Exact Mass 504.067665 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6fL2WFyqxnK
Name N-{3-iodo-5-methoxy-4-[2-oxo-2-(2-toluidino)ethoxy]benzyl}-1-propanaminium chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H25IN2O3.ClH/c1-4-9-22-12-15-10-16(21)20(18(11-15)25-3)26-13-19(24)23-17-8-6-5-7-14(17)2;/h5-8,10-11,22H,4,9,12-13H2,1-3H3,(H,23,24);1H
InChIKey RNSJBVLOFNTBQT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31691
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1843217; SBI_ID: SBI-031695
Temperature 308 °C