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(4Z)-4-(2-amino-5-keto-3H-imidazol-4-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
SpectraBase Compound ID 5ARVF9M3KXj
InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-
InChIKey JYRJOQGKGMHTOO-VURMDHGXSA-N
Mol Weight 245.24 g/mol
Molecular Formula C11H11N5O2
Exact Mass 245.091275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UxwwNon14P
Name (4Z)-4-(2-amino-5-keto-3H-imidazol-4-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11N5O2
InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-
InChIKey JYRJOQGKGMHTOO-VURMDHGXSA-N
Literature Reference Author F.J.SCHMITZ,S.P.GUNASEKERA,V.LAKSHMI,L.M.V.TILLEKERATNE
Literature Reference Citation J.NAT.PROD.,48,47(1985)
Literature Reference DOI 10.1021/np50037a008
Molecular Weight 245.241 g/mol
Solvent CDCl3:CH3COOH=2:1
Source File Reference UWCS3586