John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GWMJvcbK0Qf SpectraBase Spectrum ID=2vFY5unjUKL

(accessed ).
5-(2-NITROPHENYL)-10,15,20-TRIS-[4-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-PORPHYRIN
SpectraBase Compound ID GWMJvcbK0Qf
InChI InChI=1S/C86H83N5O32/c1-40(92)106-37-68-75(109-43(4)95)78(112-46(7)98)81(115-49(10)101)84(121-68)118-55-23-17-52(18-24-55)71-59-29-31-61(87-59)72(53-19-25-56(26-20-53)119-85-82(116-50(11)102)79(113-47(8)99)76(110-44(5)96)69(122-85)38-107-41(2)93)63-33-35-65(89-63)74(58-15-13-14-16-67(58)91(104)105)66-36-34-64(90-66)73(62-32-30-60(71)88-62)54-21-27-57(28-22-54)120-86-83(117-51(12)103)80(114-48(9)100)77(111-45(6)97)70(123-86)39-108-42(3)94/h13-36,68-70,75-87,90H,37-39H2,1-12H3/b71-59-,71-60-,72-61-,72-63-,73-62-,73-64-,74-65-,74-66-/t68-,69+,70-,75-,76+,77-,78+,79-,80+,81-,82+,83-,84-,85+,86-/m0/s1
InChIKey LMTQUVCGBLZYSQ-WNIGYJIHSA-N
Mol Weight 1698.6 g/mol
Molecular Formula C86H83N5O32
Exact Mass 1697.502117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2vFY5unjUKL
Name 5-(2-NITROPHENYL)-10,15,20-TRIS-[4-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-PORPHYRIN
Compound Number 6A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H83N5O32
InChI InChI=1S/C86H83N5O32/c1-40(92)106-37-68-75(109-43(4)95)78(112-46(7)98)81(115-49(10)101)84(121-68)118-55-23-17-52(18-24-55)71-59-29-31-61(87-59)72(53-19-25-56(26-20-53)119-85-82(116-50(11)102)79(113-47(8)99)76(110-44(5)96)69(122-85)38-107-41(2)93)63-33-35-65(89-63)74(58-15-13-14-16-67(58)91(104)105)66-36-34-64(90-66)73(62-32-30-60(71)88-62)54-21-27-57(28-22-54)120-86-83(117-51(12)103)80(114-48(9)100)77(111-45(6)97)70(123-86)39-108-42(3)94/h13-36,68-70,75-87,90H,37-39H2,1-12H3/b71-59-,71-60-,72-61-,72-63-,73-62-,73-64-,74-65-,74-66-/t68-,69+,70-,75-,76+,77-,78+,79-,80+,81-,82+,83-,84-,85+,86-/m0/s1
InChIKey LMTQUVCGBLZYSQ-WNIGYJIHSA-N
Literature Reference Author V.SOL,J.C.BLAIS,V.CARRE,R.GRANET,M.GUILLOTON,M.SPIRO,P.KRAUS Z
Literature Reference Citation J.ORG.CHEM.,64,4431(1999)
Literature Reference DOI 10.1021/jo982499+
Molecular Weight 1698.619 g/mol
Sample ID 57915
Solvent CDCl3
SpectraBase Batch ID 65yhfmA0YqA