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N-benzyl[4-(cyanomethoxy)-3-iodo-5-methoxyphenyl]methanaminium chloride
SpectraBase Compound ID 8OZjVtcKwv9
InChI InChI=1S/C17H17IN2O2.ClH/c1-21-16-10-14(9-15(18)17(16)22-8-7-19)12-20-11-13-5-3-2-4-6-13;/h2-6,9-10,20H,8,11-12H2,1H3;1H
InChIKey HMKRESBUZGRLFI-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C17H18ClIN2O2
Exact Mass 444.010151 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hzq4o0Fc3I6
Name N-benzyl[4-(cyanomethoxy)-3-iodo-5-methoxyphenyl]methanaminium 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/C17H17IN2O2.ClH/c1-21-16-10-14(9-15(18)17(16)22-8-7-19)12-20-11-13-5-3-2-4-6-13;/h2-6,9-10,20H,8,11-12H2,1H3;1H
InChIKey HMKRESBUZGRLFI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30934
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: 1728100; SBI_ID: SBI-030938
Temperature 318 °C