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5'-[3''-(PARA-PHENOXYPHENYLIDEN)-CARBAZOYL]-2',3'-ISOPROPYLIDENADENOSINE
SpectraBase Compound ID KEnipaqJUXO
InChI InChI=1S/C27H27N7O6/c1-27(2)39-21-19(38-25(22(21)40-27)34-15-31-20-23(28)29-14-30-24(20)34)13-36-26(35)33-32-12-16-8-10-18(11-9-16)37-17-6-4-3-5-7-17/h3-12,14-15,19,21-22,25H,13H2,1-2H3,(H,33,35)(H2,28,29,30)/b32-12+/t19-,21-,22-,25-/m0/s1
InChIKey RMUUKWKMFNDQPL-PZPFNDHISA-N
Mol Weight 545.56 g/mol
Molecular Formula C27H27N7O6
Exact Mass 545.202282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3J0QW1JTJQr
Name 5'-[3''-(PARA-PHENOXYPHENYLIDEN)-CARBAZOYL]-2',3'-ISOPROPYLIDENADENOSINE
Compound Number 32B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27N7O6
InChI InChI=1S/C27H27N7O6/c1-27(2)39-21-19(38-25(22(21)40-27)34-15-31-20-23(28)29-14-30-24(20)34)13-36-26(35)33-32-12-16-8-10-18(11-9-16)37-17-6-4-3-5-7-17/h3-12,14-15,19,21-22,25H,13H2,1-2H3,(H,33,35)(H2,28,29,30)/b32-12+/t19-,21-,22-,25-/m0/s1
InChIKey RMUUKWKMFNDQPL-PZPFNDHISA-N
Literature Reference Author J.MAGDALENA,S.FERNANDEZ,M.FERRERO,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,63,8873(1998)
Literature Reference DOI 10.1021/jo981062z
Molecular Weight 545.555 g/mol
Sample ID 26899
Solvent DMSO-D6