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1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-(1-naphthoyl)-
SpectraBase Compound ID GPD8XqH6HDT
InChI InChI=1S/C25H24O4/c26-24(17-16-18-8-1-2-9-18)28-22-14-5-6-15-23(22)29-25(27)21-13-7-11-19-10-3-4-12-20(19)21/h3-7,10-15,18H,1-2,8-9,16-17H2
InChIKey OSZWRJOWGGQJMX-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C25H24O4
Exact Mass 388.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNqthilI0Gd
Name 1,2-Benzenediol, o-(3-cyclopentylpropionyl)-o'-(1-naphthoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 388.167459249 u
Formula C25H24O4
InChI InChI=1S/C25H24O4/c26-24(17-16-18-8-1-2-9-18)28-22-14-5-6-15-23(22)29-25(27)21-13-7-11-19-10-3-4-12-20(19)21/h3-7,10-15,18H,1-2,8-9,16-17H2
InChIKey OSZWRJOWGGQJMX-UHFFFAOYSA-N
Molecular Weight 388.463 g/mol
SMILES C1CC(CCC(OC=2C(=CC=CC2)OC(=O)C2=CC=CC3=C2C=CC=C3)=O)CC1