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9-METHYL-S-TRIAZOLO-[4,3-C]-TRIAZOLO-[1,5-A]-PYRIMIDINE

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9-METHYL-S-TRIAZOLO-[4,3-C]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID 3gqCoh7aThq
InChI InChI=1S/C6H5N7/c1-4-2-5-8-7-3-12(5)6-9-10-11-13(4)6/h2-3H,1H3
InChIKey PSFKTNOGBFBODE-UHFFFAOYSA-N
Mol Weight 175.16 g/mol
Molecular Formula C6H5N7
Exact Mass 175.060643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRnCYXQJAuv
Name 4-Methyl-S-triazolo(4,3-C)tetrazolo(1,5-A)pyrimidin
CAS Registry Number 56881-42-6
Comments reassigned
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C6H5N7
InChI InChI=1S/C6H5N7/c1-4-2-5-8-7-3-12(5)6-9-10-11-13(4)6/h2-3H,1H3
InChIKey PSFKTNOGBFBODE-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference A. Koennecke, E. Kleinpeter, Org. Magn. Resonance 12, 385 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6