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1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(trans-3-trifluoromethylcinnamoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(trans-3-trifluoromethylcinnamoyl)-
SpectraBase Compound ID 5l0h1RPESSx
InChI InChI=1S/C27H23F3O4/c1-2-3-7-19-12-15-21(16-13-19)26(32)34-24-11-5-4-10-23(24)33-25(31)17-14-20-8-6-9-22(18-20)27(28,29)30/h4-6,8-18H,2-3,7H2,1H3/b17-14+
InChIKey RMYQTUSINGJDHJ-SAPNQHFASA-N
Mol Weight 468.47 g/mol
Molecular Formula C27H23F3O4
Exact Mass 468.154844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5d2WO6vR5Jb
Name 1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(trans-3-trifluoromethylcinnamoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.154843706 u
Formula C27H23F3O4
InChI InChI=1S/C27H23F3O4/c1-2-3-7-19-12-15-21(16-13-19)26(32)34-24-11-5-4-10-23(24)33-25(31)17-14-20-8-6-9-22(18-20)27(28,29)30/h4-6,8-18H,2-3,7H2,1H3/b17-14+
InChIKey RMYQTUSINGJDHJ-SAPNQHFASA-N
Molecular Weight 468.472 g/mol
SMILES C1(=CC=CC=C1OC(=O)C1=CC=C(CCCC)C=C1)OC(\C=C\C1=CC=CC(=C1)C(F)(F)F)=O