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3-Methylthio-5-hydroxy-N-benzyl-S-triazolo(4,3-B)pyridazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Methylthio-5-hydroxy-N-benzyl-S-triazolo(4,3-B)pyridazine
SpectraBase Compound ID K7hvU8Yg9rJ
InChI InChI=1S/C13H12N4S/c1-10-7-12(18)13-16(14-9-17(13)15-10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKey YGHVTKLYHLLBNC-UHFFFAOYSA-N
Mol Weight 256.33 g/mol
Molecular Formula C13H12N4S
Exact Mass 256.078268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NknXYwLqsb
Name 3-Methylthio-5-hydroxy-N-benzyl-S-triazolo(4,3-B)pyridazine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12N4S
InChI InChI=1S/C13H12N4S/c1-10-7-12(18)13-16(14-9-17(13)15-10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKey YGHVTKLYHLLBNC-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference H.J. Timpe, H.G. Becker, R. Radeglia, J. Prakt. Chem. 319, 945 (1977).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3