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N-[4-(cyanomethoxy)-3-ethoxy-5-iodobenzyl]-2-phenylethanaminium chloride
SpectraBase Compound ID JEqAnJDTilD
InChI InChI=1S/C19H21IN2O2.ClH/c1-2-23-18-13-16(12-17(20)19(18)24-11-9-21)14-22-10-8-15-6-4-3-5-7-15;/h3-7,12-13,22H,2,8,10-11,14H2,1H3;1H
InChIKey MBYWYQGLHGVQBE-UHFFFAOYSA-N
Mol Weight 472.75 g/mol
Molecular Formula C19H22ClIN2O2
Exact Mass 472.041451 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6l5KryKJ4fJ
Name N-[4-(cyanomethoxy)-3-ethoxy-5-iodobenzyl]-2-phenylethanaminium chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H21IN2O2.ClH/c1-2-23-18-13-16(12-17(20)19(18)24-11-9-21)14-22-10-8-15-6-4-3-5-7-15;/h3-7,12-13,22H,2,8,10-11,14H2,1H3;1H
InChIKey MBYWYQGLHGVQBE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31596
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: 1843067; SBI_ID: SBI-031600
Temperature 308 °C