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(11R,12R)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethyl bis((E)-2-butenoate)

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(11R,12R)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethyl bis((E)-2-butenoate)
SpectraBase Compound ID LTXHV45gPU8
InChI InChI=1S/C26H26O4/c1-3-9-23(27)29-15-21-22(16-30-24(28)10-4-2)26-19-13-7-5-11-17(19)25(21)18-12-6-8-14-20(18)26/h3-14,21-22,25-26H,15-16H2,1-2H3/b9-3+,10-4+/t21-,22-,25-,26+/m1/s1
InChIKey IQHOHGKSRBJUJW-ZJDYYFCSSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRjWnBFkMOd
Name (11R,12R)-9,10-Dihydro-9,10-ethanoanthracene-11,12-dimethyl bis((E)-2-butenoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.183109313 u
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-3-9-23(27)29-15-21-22(16-30-24(28)10-4-2)26-19-13-7-5-11-17(19)25(21)18-12-6-8-14-20(18)26/h3-14,21-22,25-26H,15-16H2,1-2H3/b9-3+,10-4+/t21-,22-,25-,26+/m1/s1
InChIKey IQHOHGKSRBJUJW-ZJDYYFCSSA-N
Molecular Weight 402.490 g/mol
SMILES [C@]12([C@@]([C@]([C@](C=3C2=CC=CC3)(C2=C1C=CC=C2)[H])(COC(\C=C\C)=O)[H])(COC(\C=C\C)=O)[H])[H]