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2'-Isomannide 2-( 6'-methoxy-2'-naphthyl)propionate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2'-Isomannide 2-( 6'-methoxy-2'-naphthyl)propionate
SpectraBase Compound ID 8SdMosLeaCB
InChI InChI=1S/C20H22O6/c1-11(12-3-4-14-8-15(23-2)6-5-13(14)7-12)20(22)26-17-10-25-18-16(21)9-24-19(17)18/h3-8,11,16-19,21H,9-10H2,1-2H3/t11?,16-,17+,18+,19+/m0/s1
InChIKey ISGRRYXIEFPBFN-WCKOCOLRSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7gDivoPAOK
Name 2'-Isomannide 2-( 6'-methoxy-2'-naphthyl)propionate
Comments Computed using HOSE algorithm
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Exact Mass 358.141638422 u
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-11(12-3-4-14-8-15(23-2)6-5-13(14)7-12)20(22)26-17-10-25-18-16(21)9-24-19(17)18/h3-8,11,16-19,21H,9-10H2,1-2H3/t11?,16-,17+,18+,19+/m0/s1
InChIKey ISGRRYXIEFPBFN-WCKOCOLRSA-N
Molecular Weight 358.390 g/mol
SMILES [C@]12([C@](OC[C@]2(OC(C(C2=CC3=CC=C(C=C3C=C2)OC)C)=O)[H])([C@@](O)(CO1)[H])[H])[H]