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Ethyl ([4-chloro-6-(4-iodoanilino)-1,3,5-triazin-2-yl]amino)acetate
SpectraBase Compound ID XFrKlwh0sQ
InChI InChI=1S/C13H13ClIN5O2/c1-2-22-10(21)7-16-12-18-11(14)19-13(20-12)17-9-5-3-8(15)4-6-9/h3-6H,2,7H2,1H3,(H2,16,17,18,19,20)
InChIKey HPZFWDCPVYRSNA-UHFFFAOYSA-N
Mol Weight 433.64 g/mol
Molecular Formula C13H13ClIN5O2
Exact Mass 432.980247 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IYVhD3oFqkC
Name ethyl {[4-chloro-6-(4-iodoanilino)-1,3,5-triazin-2-yl]amino}acetate
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/C13H13ClIN5O2/c1-2-22-10(21)7-16-12-18-11(14)19-13(20-12)17-9-5-3-8(15)4-6-9/h3-6H,2,7H2,1H3,(H2,16,17,18,19,20)
InChIKey HPZFWDCPVYRSNA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1178
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: NMR/9258087; Labnumber: BAS1056847; IOH_ID: IOH-001179
Temperature 303 °C