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(E)-5-(2-CARBOXYETHENYL)-TUBERCIDIN
SpectraBase Compound ID 2FIQALePWlV
InChI InChI=1S/C14H16N4O6/c15-12-9-6(1-2-8(20)21)3-18(13(9)17-5-16-12)14-11(23)10(22)7(4-19)24-14/h1-3,5,7,10-11,14,19,22-23H,4H2,(H,20,21)(H2,15,16,17)/b2-1+
InChIKey GPUVMLQLYZBZGE-OWOJBTEDSA-N
Mol Weight 336.3 g/mol
Molecular Formula C14H16N4O6
Exact Mass 336.106984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4n6iLNgss2R
Name (E)-5-(2-CARBOXYETHENYL)-TUBERCIDIN
CAS Registry Number 76319-83-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N4O6
InChI InChI=1S/C14H16N4O6/c15-12-9-6(1-2-8(20)21)3-18(13(9)17-5-16-12)14-11(23)10(22)7(4-19)24-14/h1-3,5,7,10-11,14,19,22-23H,4H2,(H,20,21)(H2,15,16,17)/b2-1+
InChIKey GPUVMLQLYZBZGE-OWOJBTEDSA-N
Literature Reference Author D.E.BERGSTROM,A.J.BRATTESANI,M.K.OGAWA,M.J.SCHWEICKERT
Literature Reference Citation J.ORG.CHEM.,46,1423(1981)
Literature Reference DOI 10.1021/jo00320a038
Molecular Weight 336.304 g/mol
Solvent DMSO-D6
Source File Reference UWWR746