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2(4)-ETHYL-4(2)-(1-HYDROXYBENZYL)-DEUTEROPORPHYRIN-DIMETHYLESTER

View entire compound with spectra: 1 NMR

2(4)-ETHYL-4(2)-(1-HYDROXYBENZYL)-DEUTEROPORPHYRIN-DIMETHYLESTER
SpectraBase Compound ID 2baVASJI1Nm
InChI InChI=1S/C41H44N4O5/c1-8-27-22(2)30-18-31-23(3)28(14-16-38(46)49-6)35(43-31)21-36-29(15-17-39(47)50-7)24(4)32(44-36)20-37-40(41(48)26-12-10-9-11-13-26)25(5)33(45-37)19-34(27)42-30/h9-13,18-21,41-42,44,48H,8,14-17H2,1-7H3/b30-18-,31-18-,32-20-,33-19-,34-19-,35-21-,36-21-,37-20-
InChIKey VXEDEHXTLAYCRH-YOMUEVEFSA-N
Mol Weight 672.8 g/mol
Molecular Formula C41H44N4O5
Exact Mass 672.331171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg9xXoTCq0K
Name 2(4)-ETHYL-4(2)-(1-HYDROXYBENZYL)-DEUTEROPORPHYRIN-DIMETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H44N4O5
InChI InChI=1S/C41H44N4O5/c1-8-27-22(2)30-18-31-23(3)28(14-16-38(46)49-6)35(43-31)21-36-29(15-17-39(47)50-7)24(4)32(44-36)20-37-40(41(48)26-12-10-9-11-13-26)25(5)33(45-37)19-34(27)42-30/h9-13,18-21,41-42,44,48H,8,14-17H2,1-7H3/b30-18-,31-18-,32-20-,33-19-,34-19-,35-21-,36-21-,37-20-
InChIKey VXEDEHXTLAYCRH-YOMUEVEFSA-N
Literature Reference Author C.J.BYRNE,M.A.COOPER,P.A.COWLED,R.A.W.JOHNSTONE,L.MACKENZIE, L.V.MARSHALLSAY,I.K.
Literature Reference Citation AUSTR.J.CHEM.,57,1091(2004)
Literature Reference DOI 10.1071/CH04062
Molecular Weight 672.824 g/mol
Solvent Unknown
Source File Reference UWVN7711