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2-[(4R,6R)-2,2-dimethyl-6-[(2R)-2-phenylmethoxypent-4-enyl]-1,3-dioxan-4-yl]acetic acid methyl ester
SpectraBase Compound ID F9pnP0SihP8
InChI InChI=1S/C21H30O5/c1-5-9-17(24-15-16-10-7-6-8-11-16)12-18-13-19(14-20(22)23-4)26-21(2,3)25-18/h5-8,10-11,17-19H,1,9,12-15H2,2-4H3/t17-,18-,19-/m1/s1
InChIKey RBSNPFSLYYDODC-GUDVDZBRSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EA70spGn0ZO
Name 2-[(4R,6R)-2,2-Dimethyl-6-[(2R)-2-phenylmethoxypent-4-enyl]-1,3-dioxan-4-yl]acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-5-9-17(24-15-16-10-7-6-8-11-16)12-18-13-19(14-20(22)23-4)26-21(2,3)25-18/h5-8,10-11,17-19H,1,9,12-15H2,2-4H3/t17-,18-,19-/m1/s1
InChIKey RBSNPFSLYYDODC-GUDVDZBRSA-N
Molecular Weight 362.466 g/mol
SMILES C1(O[C@@](CC(=O)OC)(C[C@](O1)(C[C@](OCC1=CC=CC=C1)(CC=C)[H])[H])[H])(C)C