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3-Cyano-tetrahydro-quinazoline-2,4-dione

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3-Cyano-tetrahydro-quinazoline-2,4-dione
SpectraBase Compound ID JNMMHRS9Fq5
InChI InChI=1S/C9H5N3O2/c10-5-12-8(13)6-3-1-2-4-7(6)11-9(12)14/h1-4H,(H,11,14)
InChIKey GNHATNLCCNJDOI-UHFFFAOYSA-N
Mol Weight 187.16 g/mol
Molecular Formula C9H5N3O2
Exact Mass 187.038176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZSP1bhJmFQ
Name 3-Cyano-tetrahydro-quinazoline-2,4-dione
CAS Registry Number 86769-15-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H5N3O2
InChI InChI=1S/C9H5N3O2/c10-5-12-8(13)6-3-1-2-4-7(6)11-9(12)14/h1-4H,(H,11,14)
InChIKey GNHATNLCCNJDOI-UHFFFAOYSA-N
Literature Reference T. Kappe, G. Lang, E. Pongratz, J. Chem. Soc. Chem. Comm. 338 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6