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

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(isobutoxycarbonyl)-
SpectraBase Compound ID FvTMESINXeW
InChI InChI=1S/C22H26O5/c1-4-5-8-17-11-13-18(14-12-17)21(23)26-19-9-6-7-10-20(19)27-22(24)25-15-16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3
InChIKey WCOTVQILUAILHK-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LT8BacHDkcJ
Name 1,2-Benzenediol, o-(4-butylbenzoyl)-o'-(isobutoxycarbonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-4-5-8-17-11-13-18(14-12-17)21(23)26-19-9-6-7-10-20(19)27-22(24)25-15-16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3
InChIKey WCOTVQILUAILHK-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES CC(C)COC(OC=1C(=CC=CC1)OC(C=1C=CC(=CC1)CCCC)=O)=O