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(11R,12R)-9,10-dihydro-9,10-ethano anthracene-11,12-dimethyl bis((E)-3-methyl-2-butenoate)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(11R,12R)-9,10-dihydro-9,10-ethano anthracene-11,12-dimethyl bis((E)-3-methyl-2-butenoate)
SpectraBase Compound ID KSRSKO4euat
InChI InChI=1S/C28H30O4/c1-17(2)13-25(29)31-15-23-24(16-32-26(30)14-18(3)4)28-21-11-7-5-9-19(21)27(23)20-10-6-8-12-22(20)28/h5-14,23-24,27-28H,15-16H2,1-4H3/t23-,24-,27?,28?/m0/s1
InChIKey PAJQXGVOHIBTLC-OJKWPBSESA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeAQuNlK05P
Name (11R,12R)-9,10-Dihydro-9,10-ethano anthracene-11,12-dimethyl bis((E)-3-methyl-2-butenoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.214409442 u
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-17(2)13-25(29)31-15-23-24(16-32-26(30)14-18(3)4)28-21-11-7-5-9-19(21)27(23)20-10-6-8-12-22(20)28/h5-14,23-24,27-28H,15-16H2,1-4H3/t23-,24-,27?,28?/m0/s1
InChIKey PAJQXGVOHIBTLC-OJKWPBSESA-N
Molecular Weight 430.544 g/mol
SMILES C12[C@]([C@@](C(C3=C2C=CC=C3)C2=C1C=CC=C2)(COC(C=C(C)C)=O)[H])(COC(C=C(C)C)=O)[H]