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3,5-Octadienoic acid, 7-hydroxy-2-methyl-, (9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3,5-Octadienoic acid, 7-hydroxy-2-methyl-, (9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl ester
SpectraBase Compound ID 6NhpMI08Gdh
InChI InChI=1S/C24H22O5/c1-15(7-3-4-8-16(2)25)24(28)29-14-17-11-12-20-21(13-17)23(27)19-10-6-5-9-18(19)22(20)26/h3-13,15-16,25H,14H2,1-2H3/b7-3+,8-4+
InChIKey VFEAQDIBQKUFEO-FCXRPNKRSA-N
Mol Weight 390.44 g/mol
Molecular Formula C24H22O5
Exact Mass 390.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UvrIBg3fhd
Name 3,5-Octadienoic acid, 7-hydroxy-2-methyl-, (9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.146723803 u
Formula C24H22O5
InChI InChI=1S/C24H22O5/c1-15(7-3-4-8-16(2)25)24(28)29-14-17-11-12-20-21(13-17)23(27)19-10-6-5-9-18(19)22(20)26/h3-13,15-16,25H,14H2,1-2H3/b7-3+,8-4+
InChIKey VFEAQDIBQKUFEO-FCXRPNKRSA-N
Molecular Weight 390.435 g/mol
SMILES C1(=O)C2=CC=CC=C2C(C=2C1=CC=C(COC(C(C)\C=C\C=C\C(C)O)=O)C2)=O