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Phenol, 2-[3-hydroxydodecanoyl]-3-benzyloxy-
SpectraBase Compound ID 288xSEYF7y1
InChI InChI=1S/C25H34O4/c1-2-3-4-5-6-7-11-15-21(26)18-23(28)25-22(27)16-12-17-24(25)29-19-20-13-9-8-10-14-20/h8-10,12-14,16-17,21,26-27H,2-7,11,15,18-19H2,1H3
InChIKey KSCJSNNUUSGICR-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJX3voTVn86
Name Phenol, 2-[3-hydroxydodecanoyl]-3-benzyloxy-
Comments Computed using HOSE algorithm
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Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-2-3-4-5-6-7-11-15-21(26)18-23(28)25-22(27)16-12-17-24(25)29-19-20-13-9-8-10-14-20/h8-10,12-14,16-17,21,26-27H,2-7,11,15,18-19H2,1H3
InChIKey KSCJSNNUUSGICR-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C1(=C(C(=CC=C1)OCC1=CC=CC=C1)C(CC(CCCCCCCCC)O)=O)O