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1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(2-furoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(2-furoyl)-
SpectraBase Compound ID Bi3Kz2pCKcH
InChI InChI=1S/C22H20O5/c1-2-3-7-16-11-13-17(14-12-16)21(23)26-18-8-4-5-9-19(18)27-22(24)20-10-6-15-25-20/h4-6,8-15H,2-3,7H2,1H3
InChIKey COCMHPKGMVUYCY-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C22H20O5
Exact Mass 364.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tfj3QRAOzk
Name 1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(2-furoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 364.131073739 u
Formula C22H20O5
InChI InChI=1S/C22H20O5/c1-2-3-7-16-11-13-17(14-12-16)21(23)26-18-8-4-5-9-19(18)27-22(24)20-10-6-15-25-20/h4-6,8-15H,2-3,7H2,1H3
InChIKey COCMHPKGMVUYCY-UHFFFAOYSA-N
Molecular Weight 364.397 g/mol
SMILES CCCCC1=CC=C(C(OC=2C(=CC=CC2)OC(C2=CC=CO2)=O)=O)C=C1