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3,6,8-TRIMETHYL-s-TRIAZOLO[3,4-c]-as-TRIAZIN-5(8H)-ONE
SpectraBase Compound ID 4N1xzOtGMNJ
InChI InChI=1S/C7H9N5O/c1-4-6(13)12-5(2)8-9-7(12)11(3)10-4/h1-3H3
InChIKey ANQWJOTYMRXSKI-UHFFFAOYSA-N
Mol Weight 179.18 g/mol
Molecular Formula C7H9N5O
Exact Mass 179.08071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxxrE79Z6n5
Name 3,5,7-Trimethyl-4,7-dihydro-4-oxo-1,2,4-triazolo(3,4-C)triazine
CAS Registry Number 25623-70-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H9N5O
InChI InChI=1S/C7H9N5O/c1-4-6(13)12-5(2)8-9-7(12)11(3)10-4/h1-3H3
InChIKey ANQWJOTYMRXSKI-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference J. Daunis, M. Follet, C. Marzin, Org. Magn. Resonance 13, 330 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6