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10,10A-DIDEHYDRO-10A-HOMOMESOBILIRUBIN-XIII-ALPHA;BIS-(2,7-DIMETHYL-3-ETHYL-8-CARBOXYETHYLDIPYRRIN-1(10H)-ON-9-YL)-ACETYLENE

View entire compound with spectra: 1 NMR

10,10A-DIDEHYDRO-10A-HOMOMESOBILIRUBIN-XIII-ALPHA;BIS-(2,7-DIMETHYL-3-ETHYL-8-CARBOXYETHYLDIPYRRIN-1(10H)-ON-9-YL)-ACETYLENE
SpectraBase Compound ID 2lfYB4TduwV
InChI InChI=1S/C34H38N4O6/c1-7-21-19(5)33(43)37-29(21)15-27-17(3)23(9-13-31(39)40)25(35-27)11-12-26-24(10-14-32(41)42)18(4)28(36-26)16-30-22(8-2)20(6)34(44)38-30/h15-16,35-36H,7-10,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,40)(H,41,42)/b29-15-,30-16-
InChIKey NVALOCPAHWTGKV-VHUXLRGGSA-N
Mol Weight 598.7 g/mol
Molecular Formula C34H38N4O6
Exact Mass 598.279135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A6JfV180OK
Name 10,10A-DIDEHYDRO-10A-HOMOMESOBILIRUBIN-XIII-ALPHA;BIS-(2,7-DIMETHYL-3-ETHYL-8-CARBOXYETHYLDIPYRRIN-1(10H)-ON-9-YL)-ACETYLENE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38N4O6
InChI InChI=1S/C34H38N4O6/c1-7-21-19(5)33(43)37-29(21)15-27-17(3)23(9-13-31(39)40)25(35-27)11-12-26-24(10-14-32(41)42)18(4)28(36-26)16-30-22(8-2)20(6)34(44)38-30/h15-16,35-36H,7-10,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,40)(H,41,42)/b29-15-,30-16-
InChIKey NVALOCPAHWTGKV-VHUXLRGGSA-N
Literature Reference Author B.TU,B.GHOSH,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,68,8950(2003)
Literature Reference DOI 10.1021/jo030252t
Molecular Weight 598.699 g/mol
Solvent DMSO-D6
Source File Reference UWSI21296