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N~2~-(4-methylphenyl)-6-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID CKdBonBGgNL
InChI InChI=1S/C18H17N9S/c1-12-7-9-13(10-8-12)20-17-22-15(21-16(19)23-17)11-28-18-24-25-26-27(18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H3,19,20,21,22,23)
InChIKey KDHSAWQWGCUYHU-UHFFFAOYSA-N
Mol Weight 391.46 g/mol
Molecular Formula C18H17N9S
Exact Mass 391.132763 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6LT41YRBIdq
Name N~2~-(4-methylphenyl)-6-{[(1-phenyl-1H-tetraazol-5-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 391.132762757 u
Formula C18H17N9S
InChI InChI=1S/C18H17N9S/c1-12-7-9-13(10-8-12)20-17-22-15(21-16(19)23-17)11-28-18-24-25-26-27(18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H3,19,20,21,22,23)
InChIKey KDHSAWQWGCUYHU-UHFFFAOYSA-N
Molecular Weight 391.457 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_231
Solvent DMSO-d6
Source Vendor ID: NMR/12259913