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1,7-Bis(hydroxymethyl)-4-methyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-3,5-dione
SpectraBase Compound ID EsPRqoVAYyb
InChI InChI=1S/C9H13N3O4/c1-10-6(15)11-8(4-13)2-9(3-8,5-14)12(11)7(10)16/h13-14H,2-5H2,1H3/t8-,9+
InChIKey UOKOEMQJERRUCL-DTORHVGOSA-N
Mol Weight 227.22 g/mol
Molecular Formula C9H13N3O4
Exact Mass 227.090606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nyDuvlLb17
Name 1,7-Bis(hydroxymethyl)-4-methyl-2,4,6-triaza-tricyclo(5.1.1.0/2,6/)nonane-3,5-dione
CAS Registry Number 112422-49-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13N3O4
InChI InChI=1S/C9H13N3O4/c1-10-6(15)11-8(4-13)2-9(3-8,5-14)12(11)7(10)16/h13-14H,2-5H2,1H3/t8-,9+
InChIKey UOKOEMQJERRUCL-DTORHVGOSA-N
Instrument Name Jeol FX-90
Literature Reference R. Jain, M.B. Sponsler, F.D.Coms, J. Am. Chem. Soc. 110, 1356 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3