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1,3-Benzenediol, o-(4-butylbenzoyl)-o'-isobutoxycarbonyl-

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

1,3-Benzenediol, o-(4-butylbenzoyl)-o'-isobutoxycarbonyl-
SpectraBase Compound ID GUBxd8dlAfP
InChI InChI=1S/C22H26O5/c1-4-5-7-17-10-12-18(13-11-17)21(23)26-19-8-6-9-20(14-19)27-22(24)25-15-16(2)3/h6,8-14,16H,4-5,7,15H2,1-3H3
InChIKey CENIDKSVWHRFSO-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 ERVjjay4BSi
Name 1,3-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/c1-4-5-7-17-10-12-18(13-11-17)21(23)26-19-8-6-9-20(14-19)27-22(24)25-15-16(2)3/h6,8-14,16H,4-5,7,15H2,1-3H3
InChIKey CENIDKSVWHRFSO-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C1=C(C=C(C=C1)OC(C1=CC=C(C=C1)CCCC)=O)OC(=O)OCC(C)C