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2,3,4,6-Tetra-o-actyl-1-o-phenylazobenzoyl

View entire compound with spectra: 1 NMR

2,3,4,6-Tetra-o-actyl-1-o-phenylazobenzoyl
SpectraBase Compound ID IAaCCotBzwU
InChI InChI=1S/C27H28N2O11/c1-15(30)35-14-22-23(36-16(2)31)24(37-17(3)32)25(38-18(4)33)27(39-22)40-26(34)19-10-12-21(13-11-19)29-28-20-8-6-5-7-9-20/h5-13,22-25,27H,14H2,1-4H3/b29-28+/t22-,23-,24+,25-,27?/m1/s1
InChIKey YAXBDSWQVLDCJA-SKHBPMBWSA-N
Mol Weight 556.52 g/mol
Molecular Formula C27H28N2O11
Exact Mass 556.16931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QMfAiWq6FB
Name 2,3,4,6-Tetra-o-actyl-1-o-phenylazobenzoyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.169309719 u
Formula C27H28N2O11
InChI InChI=1S/C27H28N2O11/c1-15(30)35-14-22-23(36-16(2)31)24(37-17(3)32)25(38-18(4)33)27(39-22)40-26(34)19-10-12-21(13-11-19)29-28-20-8-6-5-7-9-20/h5-13,22-25,27H,14H2,1-4H3/b29-28+/t22-,23-,24+,25-,27?/m1/s1
InChIKey YAXBDSWQVLDCJA-SKHBPMBWSA-N
Molecular Weight 556.524 g/mol
SMILES [C@@]1([C@](OC([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])OC(=O)C1=CC=C(C=C1)\N=N\C1=CC=CC=C1)(COC(=O)C)[H])(OC(=O)C)[H]