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N~2~-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID CIFXTOm3Wp3
InChI InChI=1S/C20H19ClN6OS2/c1-3-28-12-7-8-15-16(9-12)30-20(24-15)29-10-17-25-18(22)27-19(26-17)23-14-6-4-5-13(21)11(14)2/h4-9H,3,10H2,1-2H3,(H3,22,23,25,26,27)
InChIKey NWCROGRAQBWOSL-UHFFFAOYSA-N
Mol Weight 458.99 g/mol
Molecular Formula C20H19ClN6OS2
Exact Mass 458.075029 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3NbfUU3kL6
Name N~2~-(3-chloro-2-methylphenyl)-6-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.075029303 u
Formula C20H19ClN6OS2
InChI InChI=1S/C20H19ClN6OS2/c1-3-28-12-7-8-15-16(9-12)30-20(24-15)29-10-17-25-18(22)27-19(26-17)23-14-6-4-5-13(21)11(14)2/h4-9H,3,10H2,1-2H3,(H3,22,23,25,26,27)
InChIKey NWCROGRAQBWOSL-UHFFFAOYSA-N
Molecular Weight 458.986 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_354
Solvent DMSO-d6
Source Vendor ID: NMR/12268092