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(Z)-1-((2-GUANIDINOCARBAMOYLCYCLOPROPYLIDENE)-METHYL)-4,5,7,8-TETRAHYDRO-6H-6-IMINOIMIDAZO-[4,5-E]-DIAZEPINE-4,8-DIONE
SpectraBase Compound ID 6xKq7572cnE
InChI InChI=1S/C12H13N8O3/c13-11(14)17-8(21)5-1-4(5)2-20-3-16-6-7(20)10(23)19-12(15)18-9(6)22/h2-3,5,20H,1H2,(H4,13,14,17,21)(H3,15,18,19,22,23)/b4-2+
InChIKey BWCHAWZCFBMUTB-DUXPYHPUSA-N
Mol Weight 317.29 g/mol
Molecular Formula C12H13N8O3
Exact Mass 317.111061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8igQvnysXLu
Name (Z)-1-((2-GUANIDINOCARBAMOYLCYCLOPROPYLIDENE)-METHYL)-4,5,7,8-TETRAHYDRO-6H-6-IMINOIMIDAZO-[4,5-E]-DIAZEPINE-4,8-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N8O3
InChI InChI=1S/C12H13N8O3/c13-11(14)17-8(21)5-1-4(5)2-20-3-16-6-7(20)10(23)19-12(15)18-9(6)22/h2-3,5,20H,1H2,(H4,13,14,17,21)(H3,15,18,19,22,23)/b4-2+
InChIKey BWCHAWZCFBMUTB-DUXPYHPUSA-N
Literature Reference Author H.M.CHEN,R.S.HOSMANE,D.M.BALDISSERI
Literature Reference Citation J.HETCYCL.CHEM.,37,951(2000)
Literature Reference DOI 10.1002/jhet.5570370444
Molecular Weight 317.287 g/mol
Solvent DMSO-D6
Source File Reference UWLU31530