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N-[4-(cyanomethoxy)-3-iodo-5-methoxybenzyl]-2-propanaminium chloride
SpectraBase Compound ID 2ZLgc0LBGn0
InChI InChI=1S/C13H17IN2O2.ClH/c1-9(2)16-8-10-6-11(14)13(18-5-4-15)12(7-10)17-3;/h6-7,9,16H,5,8H2,1-3H3;1H
InChIKey JQSAMXBHVBISFC-UHFFFAOYSA-N
Mol Weight 396.66 g/mol
Molecular Formula C13H18ClIN2O2
Exact Mass 396.010151 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JlGrxtEHMTG
Name N-[4-(cyanomethoxy)-3-iodo-5-methoxybenzyl]-2-propanaminium 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/C13H17IN2O2.ClH/c1-9(2)16-8-10-6-11(14)13(18-5-4-15)12(7-10)17-3;/h6-7,9,16H,5,8H2,1-3H3;1H
InChIKey JQSAMXBHVBISFC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31497
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: 1842919; SBI_ID: SBI-031501
Temperature 306 °C