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3-[8-Carbethoxyoctyl]-1,2,4-triacetoxy-naphthalene

View entire compound with spectra: 1 NMR

3-[8-Carbethoxyoctyl]-1,2,4-triacetoxy-naphthalene
SpectraBase Compound ID JmYbY2SKxb
InChI InChI=1S/C27H34O8/c1-5-32-24(31)17-11-9-7-6-8-10-16-23-25(33-18(2)28)21-14-12-13-15-22(21)26(34-19(3)29)27(23)35-20(4)30/h12-15H,5-11,16-17H2,1-4H3
InChIKey KBCKVJCZDGAAIO-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C27H34O8
Exact Mass 486.225368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBabP2FRBlH
Name 3-[8-Carbethoxyoctyl]-1,2,4-triacetoxy-naphthalene
Comments Computed using HOSE algorithm
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Exact Mass 486.225368047 u
Formula C27H34O8
InChI InChI=1S/C27H34O8/c1-5-32-24(31)17-11-9-7-6-8-10-16-23-25(33-18(2)28)21-14-12-13-15-22(21)26(34-19(3)29)27(23)35-20(4)30/h12-15H,5-11,16-17H2,1-4H3
InChIKey KBCKVJCZDGAAIO-UHFFFAOYSA-N
Molecular Weight 486.561 g/mol
SMILES C1=CC2=C(C(OC(=O)C)=C(C(=C2C=C1)OC(=O)C)CCCCCCCCC(OCC)=O)OC(C)=O