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Hexahydro-pyrazino(1,2-D)(1,4)diazepinium-1,9-dione cation

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Hexahydro-pyrazino(1,2-D)(1,4)diazepinium-1,9-dione cation
SpectraBase Compound ID IcEXBoMHH1x
InChI InChI=1S/C8H13N3O2/c12-7-5-6-8(13)10-2-4-11(6)3-1-9-7/h6H,1-5H2,(H,9,12)(H,10,13)/p+1
InChIKey AXJIKILFQVNSTL-UHFFFAOYSA-O
Mol Weight 184.22 g/mol
Molecular Formula C8H14N3O2
Exact Mass 184.108602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWs7WFikUOs
Name Hexahydro-pyrazino(1,2-D)(1,4)diazepinium-1,9-dione cation
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14N3O2
InChI InChI=1S/C8H13N3O2/c12-7-5-6-8(13)10-2-4-11(6)3-1-9-7/h6H,1-5H2,(H,9,12)(H,10,13)/p+1
InChIKey AXJIKILFQVNSTL-UHFFFAOYSA-O
Literature Reference T. Okawara, S. Ehara, S. Matsumoto, J. Chem. Soc. Perkin I 2615 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O