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Methyl (3R,5R,6R)-3,5-di-o-isopropylidene-6-(p-methoxybenzyloxy)heptanoate
SpectraBase Compound ID 9HsPLppqfW9
InChI InChI=1S/C19H28O6/c1-13(23-12-14-6-8-15(21-4)9-7-14)17-10-16(11-18(20)22-5)24-19(2,3)25-17/h6-9,13,16-17H,10-12H2,1-5H3/t13-,16-,17-/m1/s1
InChIKey ZFEBRVNZEQAFHY-KBRIMQKVSA-N
Mol Weight 352.43 g/mol
Molecular Formula C19H28O6
Exact Mass 352.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2lOxis4nQcp
Name Methyl (3R,5R,6R)-3,5-di-o-isopropylidene-6-(p-methoxybenzyloxy)heptanoate
Comments Computed using HOSE algorithm
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Exact Mass 352.188588616 u
Formula C19H28O6
InChI InChI=1S/C19H28O6/c1-13(23-12-14-6-8-15(21-4)9-7-14)17-10-16(11-18(20)22-5)24-19(2,3)25-17/h6-9,13,16-17H,10-12H2,1-5H3/t13-,16-,17-/m1/s1
InChIKey ZFEBRVNZEQAFHY-KBRIMQKVSA-N
Molecular Weight 352.427 g/mol
SMILES C1(O[C@@]([C@](OCC2=CC=C(C=C2)OC)(C)[H])(C[C@@](O1)(CC(=O)OC)[H])[H])(C)C