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2-({[4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)ethanol
SpectraBase Compound ID GqEJ0blJpiN
InChI InChI=1S/C13H16ClN5OS/c1-8-9(14)3-2-4-10(8)16-13-18-11(7-21-6-5-20)17-12(15)19-13/h2-4,20H,5-7H2,1H3,(H3,15,16,17,18,19)
InChIKey PVQONUXOKYHEKB-UHFFFAOYSA-N
Mol Weight 325.82 g/mol
Molecular Formula C13H16ClN5OS
Exact Mass 325.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EkkGSXNvzTE
Name 2-({[4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)ethanol
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/C13H16ClN5OS/c1-8-9(14)3-2-4-10(8)16-13-18-11(7-21-6-5-20)17-12(15)19-13/h2-4,20H,5-7H2,1H3,(H3,15,16,17,18,19)
InChIKey PVQONUXOKYHEKB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6895
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: D27110; Labnumber: VGU-0018845; SBI_ID: SBI-006898
Temperature 318 °C